S-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate

Systemtic Name: S-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate Openeye Name: S-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate CAS Name: 3,4-dimethoxybenzenecarbothioic acid S-[[[4-(1H-benzimidazol-2-yl)anilino]-oxomethyl]amino] ester IUPAC Name: S-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino] 3,4-dimethoxybenzenecarbothioate Traditional Name: 3,4-dimethoxythiobenzoic acid S-[[4-(1H-benzimidazol-2-yl)phenyl]carbamoylamino] ester Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C23H20N4O4S/c1-30-19-12-9-15(13-20(19)31-2)22(28)32-27-23(29)24-16-10-7-14(8-11-16)21-25-17-5-3-4-6-18(17)26-21/h3-13H,1-2H3,(H,25,26)(H2,24,27,29)