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

Systemtic Name: 1-methyl-4-[(2S)-1-phenyl-3-phenylsulfanyl-propan-2-yl]-1,4-diazepan-5-one Openeye Name: 4-[(1S)-1-benzyl-2-phenylsulfanyl-ethyl]-1-methyl-1,4-diazepan-5-one CAS Name: 1-methyl-4-[(2S)-1-phenyl-3-(phenylthio)propan-2-yl]-1,4-diazepan-5-one IUPAC Name: 1-methyl-4-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-1,4-diazepan-5-one Traditional Name: 4-[(1S)-1-benzyl-2-(phenylthio)ethyl]-1-methyl-1,4-diazepan-5-one Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)CSC3=CC=CC=C3

InChI

InChI=1S/C21H26N2OS/c1-22-13-12-21(24)23(15-14-22)19(16-18-8-4-2-5-9-18)17-25-20-10-6-3-7-11-20/h2-11,19H,12-17H2,1H3/t19-/m0/s1