4-[2-(4-bromophenyl)sulfanyl-1-phenyl-ethyl]-1-(2-methylpropyl)-1,4-diazepan-5-one

Systemtic Name: 4-[2-(4-bromophenyl)sulfanyl-1-phenyl-ethyl]-1-(2-methylpropyl)-1,4-diazepan-5-one Openeye Name: 4-[2-(4-bromophenyl)sulfanyl-1-phenyl-ethyl]-1-isobutyl-1,4-diazepan-5-one CAS Name: 4-[2-[(4-bromophenyl)thio]-1-phenylethyl]-1-(2-methylpropyl)-1,4-diazepan-5-one IUPAC Name: 4-[2-(4-bromophenyl)sulfanyl-1-phenylethyl]-1-(2-methylpropyl)-1,4-diazepan-5-one Traditional Name: 4-[2-[(4-bromophenyl)thio]-1-phenyl-ethyl]-1-isobutyl-1,4-diazepan-5-one Formula: C23H29BrN2OS MolecularWeight: 461.45816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCC(=O)N(CC1)C(CSC2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CC(C)CN1CCC(=O)N(CC1)C(CSC2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C23H29BrN2OS/c1-18(2)16-25-13-12-23(27)26(15-14-25)22(19-6-4-3-5-7-19)17-28-21-10-8-20(24)9-11-21/h3-11,18,22H,12-17H2,1-2H3