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

Systemtic Name: 2-[[4-(propanoylamino)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide Openeye Name: 2-[[4-(propanoylamino)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide CAS Name: 2-[[[4-(1-oxopropylamino)phenyl]thio]methyl]-1H-benzimidazole-4-carboxamide IUPAC Name: 2-[[4-(propanoylamino)phenyl]sulfanylmethyl]-1H-benzimidazole-4-carboxamide Traditional Name: 2-[[(4-propionamidophenyl)thio]methyl]-1H-benzimidazole-4-carboxamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2S/c1-2-16(23)20-11-6-8-12(9-7-11)25-10-15-21-14-5-3-4-13(18(19)24)17(14)22-15/h3-9H,2,10H2,1H3,(H2,19,24)(H,20,23)(H,21,22)