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

Systemtic Name: 4-[(2S)-4-methyl-1-phenylsulfanyl-pentan-2-yl]-1-phenethyl-1,4-diazepan-5-one Openeye Name: 4-[(1S)-3-methyl-1-(phenylsulfanylmethyl)butyl]-1-phenethyl-1,4-diazepan-5-one CAS Name: 4-[(2S)-4-methyl-1-(phenylthio)pentan-2-yl]-1-phenethyl-1,4-diazepan-5-one IUPAC Name: 4-[(2S)-4-methyl-1-phenylsulfanylpentan-2-yl]-1-phenethyl-1,4-diazepan-5-one Traditional Name: 4-[(1S)-3-methyl-1-[(phenylthio)methyl]butyl]-1-phenethyl-1,4-diazepan-5-one Formula: C25H34N2OS MolecularWeight: 410.61526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CSC1=CC=CC=C1)N2CCN(CCC2=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](CSC1=CC=CC=C1)N2CCN(CCC2=O)CCC3=CC=CC=C3

InChI

InChI=1S/C25H34N2OS/c1-21(2)19-23(20-29-24-11-7-4-8-12-24)27-18-17-26(16-14-25(27)28)15-13-22-9-5-3-6-10-22/h3-12,21,23H,13-20H2,1-2H3/t23-/m0/s1