4-[(2S)-4-methyl-1-phenylsulfanyl-pentan-2-yl]-1-(phenylmethyl)-1,4-diazepan-5-one

Systemtic Name: 4-[(2S)-4-methyl-1-phenylsulfanyl-pentan-2-yl]-1-(phenylmethyl)-1,4-diazepan-5-one Openeye Name: 1-benzyl-4-[(1S)-3-methyl-1-(phenylsulfanylmethyl)butyl]-1,4-diazepan-5-one CAS Name: 4-[(2S)-4-methyl-1-(phenylthio)pentan-2-yl]-1-(phenylmethyl)-1,4-diazepan-5-one IUPAC Name: 1-benzyl-4-[(2S)-4-methyl-1-phenylsulfanylpentan-2-yl]-1,4-diazepan-5-one Traditional Name: 1-benzyl-4-[(1S)-3-methyl-1-[(phenylthio)methyl]butyl]-1,4-diazepan-5-one Formula: C24H32N2OS MolecularWeight: 396.58868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CSC1=CC=CC=C1)N2CCN(CCC2=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](CSC1=CC=CC=C1)N2CCN(CCC2=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H32N2OS/c1-20(2)17-22(19-28-23-11-7-4-8-12-23)26-16-15-25(14-13-24(26)27)18-21-9-5-3-6-10-21/h3-12,20,22H,13-19H2,1-2H3/t22-/m0/s1