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

Systemtic Name: 4-[2-(4-bromophenyl)sulfanyl-1-phenyl-ethyl]-1-propyl-1,4-diazepan-5-one Openeye Name: 4-[2-(4-bromophenyl)sulfanyl-1-phenyl-ethyl]-1-propyl-1,4-diazepan-5-one CAS Name: 4-[2-[(4-bromophenyl)thio]-1-phenylethyl]-1-propyl-1,4-diazepan-5-one IUPAC Name: 4-[2-(4-bromophenyl)sulfanyl-1-phenylethyl]-1-propyl-1,4-diazepan-5-one Traditional Name: 4-[2-[(4-bromophenyl)thio]-1-phenyl-ethyl]-1-propyl-1,4-diazepan-5-one Formula: C22H27BrN2OS MolecularWeight: 447.43158

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(=O)N(CC1)C(CSC2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CCCN1CCC(=O)N(CC1)C(CSC2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C22H27BrN2OS/c1-2-13-24-14-12-22(26)25(16-15-24)21(18-6-4-3-5-7-18)17-27-20-10-8-19(23)9-11-20/h3-11,21H,2,12-17H2,1H3