N-[[5-(1H-benzimidazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-3-methoxy-benzamide

Systemtic Name: N-[[5-(1H-benzimidazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-3-methoxy-benzamide Openeye Name: N-[[5-(1H-benzimidazol-2-yl)-2-chloro-phenyl]carbamothioyl]-3-methoxy-benzamide CAS Name: N-[[5-(1H-benzimidazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-3-methoxybenzamide IUPAC Name: N-[[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-methoxybenzamide Traditional Name: N-[[5-(1H-benzimidazol-2-yl)-2-chloro-phenyl]thiocarbamoyl]-3-methoxy-benzamide Formula: C22H17ClN4O2S MolecularWeight: 436.91398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4N3)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4N3)Cl

InChI

InChI=1S/C22H17ClN4O2S/c1-29-15-6-4-5-14(11-15)21(28)27-22(30)26-19-12-13(9-10-16(19)23)20-24-17-7-2-3-8-18(17)25-20/h2-12H,1H3,(H,24,25)(H2,26,27,28,30)