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

Systemtic Name: 4-[1-(4-bromophenyl)sulfanyl-3-phenyl-propan-2-yl]-1-methyl-1,4-diazepan-5-one Openeye Name: 4-[1-benzyl-2-(4-bromophenyl)sulfanyl-ethyl]-1-methyl-1,4-diazepan-5-one CAS Name: 4-[1-[(4-bromophenyl)thio]-3-phenylpropan-2-yl]-1-methyl-1,4-diazepan-5-one IUPAC Name: 4-[1-(4-bromophenyl)sulfanyl-3-phenylpropan-2-yl]-1-methyl-1,4-diazepan-5-one Traditional Name: 4-[1-benzyl-2-[(4-bromophenyl)thio]ethyl]-1-methyl-1,4-diazepan-5-one Formula: C21H25BrN2OS MolecularWeight: 433.405

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2OS/c1-23-12-11-21(25)24(14-13-23)19(15-17-5-3-2-4-6-17)16-26-20-9-7-18(22)8-10-20/h2-10,19H,11-16H2,1H3