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

Systemtic Name: 4-[1-(4-bromophenyl)sulfanyl-3-phenyl-propan-2-yl]-1-propyl-1,4-diazepan-5-one Openeye Name: 4-[1-benzyl-2-(4-bromophenyl)sulfanyl-ethyl]-1-propyl-1,4-diazepan-5-one CAS Name: 4-[1-[(4-bromophenyl)thio]-3-phenylpropan-2-yl]-1-propyl-1,4-diazepan-5-one IUPAC Name: 4-[1-(4-bromophenyl)sulfanyl-3-phenylpropan-2-yl]-1-propyl-1,4-diazepan-5-one Traditional Name: 4-[1-benzyl-2-[(4-bromophenyl)thio]ethyl]-1-propyl-1,4-diazepan-5-one Formula: C23H29BrN2OS MolecularWeight: 461.45816

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(=O)N(CC1)C(CC2=CC=CC=C2)CSC3=CC=C(C=C3)Br

Isomeric SMILES

CCCN1CCC(=O)N(CC1)C(CC2=CC=CC=C2)CSC3=CC=C(C=C3)Br

InChI

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