1-(4-chlorophenyl)carbonyl-3-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-azepan-2-one

Systemtic Name: 1-(4-chlorophenyl)carbonyl-3-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-azepan-2-one Openeye Name: 3-(1-benzylimidazol-2-yl)sulfanyl-1-(4-chlorobenzoyl)azepan-2-one CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-3-[[1-(phenylmethyl)-2-imidazolyl]thio]-2-azepanone IUPAC Name: 3-(1-benzylimidazol-2-yl)sulfanyl-1-(4-chlorobenzoyl)azepan-2-one Traditional Name: 3-[(1-benzylimidazol-2-yl)thio]-1-(4-chlorobenzoyl)azepan-2-one Formula: C23H22ClN3O2S MolecularWeight: 439.95768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NC=CN2CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C(=O)C(C1)SC2=NC=CN2CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H22ClN3O2S/c24-19-11-9-18(10-12-19)21(28)27-14-5-4-8-20(22(27)29)30-23-25-13-15-26(23)16-17-6-2-1-3-7-17/h1-3,6-7,9-13,15,20H,4-5,8,14,16H2