2-[(4-acetamidophenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide

Systemtic Name: 2-[(4-acetamidophenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[(4-acetamidophenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[[(4-acetamidophenyl)thio]methyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[(4-acetamidophenyl)sulfanylmethyl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[[(4-acetamidophenyl)thio]methyl]-1H-benzimidazole-4-carboxamide Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC2=NC3=C(C=CC=C3N2)C(=O)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC2=NC3=C(C=CC=C3N2)C(=O)N

InChI

InChI=1S/C17H16N4O2S/c1-10(22)19-11-5-7-12(8-6-11)24-9-15-20-14-4-2-3-13(17(18)23)16(14)21-15/h2-8H,9H2,1H3,(H2,18,23)(H,19,22)(H,20,21)