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

Systemtic Name: 4-[2-(4-bromophenyl)sulfanyl-1-phenyl-ethyl]-1-methyl-1,4-diazepan-5-one Openeye Name: 4-[2-(4-bromophenyl)sulfanyl-1-phenyl-ethyl]-1-methyl-1,4-diazepan-5-one CAS Name: 4-[2-[(4-bromophenyl)thio]-1-phenylethyl]-1-methyl-1,4-diazepan-5-one IUPAC Name: 4-[2-(4-bromophenyl)sulfanyl-1-phenylethyl]-1-methyl-1,4-diazepan-5-one Traditional Name: 4-[2-[(4-bromophenyl)thio]-1-phenyl-ethyl]-1-methyl-1,4-diazepan-5-one Formula: C20H23BrN2OS MolecularWeight: 419.37842

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=O)N(CC1)C(CSC2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CN1CCC(=O)N(CC1)C(CSC2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C20H23BrN2OS/c1-22-12-11-20(24)23(14-13-22)19(16-5-3-2-4-6-16)15-25-18-9-7-17(21)8-10-18/h2-10,19H,11-15H2,1H3