4-(1H-benzimidazol-2-ylmethyl)-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(1H-benzimidazol-2-ylmethyl)-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(1H-benzimidazol-2-ylmethyl)-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(1H-benzimidazol-2-ylmethyl)-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(1H-benzimidazol-2-ylmethyl)-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(1H-benzimidazol-2-ylmethyl)-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)N2CCCN(CC2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)N2CCCN(CC2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H25N5OS/c1-28-19-10-5-4-9-18(19)24-21(27)26-12-6-11-25(13-14-26)15-20-22-16-7-2-3-8-17(16)23-20/h2-5,7-10H,6,11-15H2,1H3,(H,22,23)(H,24,27)