N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-5-bromanyl-2-methoxy-benzamide

Systemtic Name: N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-5-bromanyl-2-methoxy-benzamide Openeye Name: N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-5-bromo-2-methoxy-benzamide CAS Name: N-[[4-(1H-benzimidazol-2-yl)anilino]-sulfanylidenemethyl]-5-bromo-2-methoxybenzamide IUPAC Name: N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-5-bromo-2-methoxybenzamide Traditional Name: N-[[4-(1H-benzimidazol-2-yl)phenyl]thiocarbamoyl]-5-bromo-2-methoxy-benzamide Formula: C22H17BrN4O2S MolecularWeight: 481.36498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN4O2S/c1-29-19-11-8-14(23)12-16(19)21(28)27-22(30)24-15-9-6-13(7-10-15)20-25-17-4-2-3-5-18(17)26-20/h2-12H,1H3,(H,25,26)(H2,24,27,28,30)