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

Systemtic Name: 4-[2-(4-bromophenyl)sulfanyl-1-phenyl-ethyl]-1-phenethyl-1,4-diazepan-5-one Openeye Name: 4-[2-(4-bromophenyl)sulfanyl-1-phenyl-ethyl]-1-phenethyl-1,4-diazepan-5-one CAS Name: 4-[2-[(4-bromophenyl)thio]-1-phenylethyl]-1-phenethyl-1,4-diazepan-5-one IUPAC Name: 4-[2-(4-bromophenyl)sulfanyl-1-phenylethyl]-1-phenethyl-1,4-diazepan-5-one Traditional Name: 4-[2-[(4-bromophenyl)thio]-1-phenyl-ethyl]-1-phenethyl-1,4-diazepan-5-one Formula: C27H29BrN2OS MolecularWeight: 509.50096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)C(CSC2=CC=C(C=C2)Br)C3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1=O)C(CSC2=CC=C(C=C2)Br)C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H29BrN2OS/c28-24-11-13-25(14-12-24)32-21-26(23-9-5-2-6-10-23)30-20-19-29(18-16-27(30)31)17-15-22-7-3-1-4-8-22/h1-14,26H,15-21H2