Viewing Compound With Structures

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Compound Report Overview

Compound Name: THIOCARBANIDIN
Compound Identifier: 701182
Mol Structure 2D: 701182
Molecular Weight: 378
Formula: C22 H23 N3 O S
Development Status: Preclinical
SMILES: CC(C)COc1ccc(NC(=S)Nc2ccc(cc2)c3ccccn3)cc1
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222292D 0 0.00000 0.00000 0^^ 27 29 0 0 0 999 V2000^ -0.5833 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.1000 -2.3292 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.5833 -1.1167 0.0000 N 0 0 0 0 0 0 0 0 0^ -1.2875 -2.3292 0.0000 S 0 0 0 0 0 0 0 0 0^ 2.9292 0.1125 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.2417 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9292 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.2417 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5375 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8292 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2833 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1333 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0^ -2.5333 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8292 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.5375 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.0000 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.2583 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.9125 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.8958 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.5208 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6375 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6375 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5875 1.7375 0.0000 C 0 0 3 0 0 0 0 0 0^ -3.4458 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.3458 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 1 0 0 0^ 4 1 2 0 0 0^ 5 7 1 0 0 0^ 6 8 1 0 0 0^ 7 6 1 0 0 0^ 8 15 2 0 0 0^ 9 14 1 0 0 0^ 10 2 1 0 0 0^ 11 3 1 0 0 0^ 12 13 1 0 0 0^ 13 20 2 0 0 0^ 14 10 2 0 0 0^ 15 10 1 0 0 0^ 16 12 1 0 0 0^ 17 11 1 0 0 0^ 18 11 2 0 0 0^ 19 17 2 0 0 0^ 20 18 1 0 0 0^ 21 5 2 0 0 0^ 22 7 2 0 0 0^ 23 16 1 0 0 0^ 24 23 1 0 0 0^ 25 23 1 0 0 0^ 26 27 2 0 0 0^ 27 22 1 0 0 0^ 13 19 1 0 0 0^ 9 6 2 0 0 0^ 26 21 1 0 0 0^M END^^
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