3-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]azepan-2-one

Systemtic Name: 3-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]azepan-2-one Openeye Name: 3-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]azepan-2-one CAS Name: 3-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]-2-azepanone IUPAC Name: 3-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanyl]azepan-2-one Traditional Name: 3-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]azepan-2-one Formula: C19H23N3OS MolecularWeight: 341.47042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC3=C(N2C4=CC=CC=C4)CCCC3

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NC3=C(N2C4=CC=CC=C4)CCCC3

InChI

InChI=1S/C19H23N3OS/c23-18-17(12-6-7-13-20-18)24-19-21-15-10-4-5-11-16(15)22(19)14-8-2-1-3-9-14/h1-3,8-9,17H,4-7,10-13H2,(H,20,23)