4-[1-(4-bromophenyl)sulfanyl-3-phenyl-propan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one

Systemtic Name: 4-[1-(4-bromophenyl)sulfanyl-3-phenyl-propan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one Openeye Name: 4-[1-benzyl-2-(4-bromophenyl)sulfanyl-ethyl]-1-isobutyl-1,4-diazepan-5-one CAS Name: 4-[1-[(4-bromophenyl)thio]-3-phenylpropan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one IUPAC Name: 4-[1-(4-bromophenyl)sulfanyl-3-phenylpropan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one Traditional Name: 4-[1-benzyl-2-[(4-bromophenyl)thio]ethyl]-1-isobutyl-1,4-diazepan-5-one Formula: C24H31BrN2OS MolecularWeight: 475.48474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCC(=O)N(CC1)C(CC2=CC=CC=C2)CSC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)CN1CCC(=O)N(CC1)C(CC2=CC=CC=C2)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C24H31BrN2OS/c1-19(2)17-26-13-12-24(28)27(15-14-26)22(16-20-6-4-3-5-7-20)18-29-23-10-8-21(25)9-11-23/h3-11,19,22H,12-18H2,1-2H3