4-(1H-benzo[f]benzimidazol-2-ylmethyl)-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(1H-benzo[f]benzimidazol-2-ylmethyl)-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(1H-benzo[f]benzimidazol-2-ylmethyl)-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(1H-benzo[f]benzimidazol-2-ylmethyl)-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(1H-benzo[f]benzimidazol-2-ylmethyl)-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(1H-benzo[f]benzimidazol-2-ylmethyl)-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)N2CCCN(CC2)CC3=NC4=CC5=CC=CC=C5C=C4N3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)N2CCCN(CC2)CC3=NC4=CC5=CC=CC=C5C=C4N3

InChI

InChI=1S/C25H27N5OS/c1-32-23-10-5-4-9-20(23)28-25(31)30-12-6-11-29(13-14-30)17-24-26-21-15-18-7-2-3-8-19(18)16-22(21)27-24/h2-5,7-10,15-16H,6,11-14,17H2,1H3,(H,26,27)(H,28,31)