3-(1-phenethylbenzimidazol-2-yl)sulfanylazepan-2-one

Systemtic Name: 3-(1-phenethylbenzimidazol-2-yl)sulfanylazepan-2-one Openeye Name: 3-(1-phenethylbenzimidazol-2-yl)sulfanylazepan-2-one CAS Name: 3-[(1-phenethyl-2-benzimidazolyl)thio]-2-azepanone IUPAC Name: 3-(1-phenethylbenzimidazol-2-yl)sulfanylazepan-2-one Traditional Name: 3-[(1-phenethylbenzimidazol-2-yl)thio]azepan-2-one Formula: C21H23N3OS MolecularWeight: 365.49182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

InChI

InChI=1S/C21H23N3OS/c25-20-19(12-6-7-14-22-20)26-21-23-17-10-4-5-11-18(17)24(21)15-13-16-8-2-1-3-9-16/h1-5,8-11,19H,6-7,12-15H2,(H,22,25)