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

Systemtic Name: 4-[(2S)-4-methyl-1-phenylsulfanyl-pentan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one Openeye Name: 1-isobutyl-4-[(1S)-3-methyl-1-(phenylsulfanylmethyl)butyl]-1,4-diazepan-5-one CAS Name: 4-[(2S)-4-methyl-1-(phenylthio)pentan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one IUPAC Name: 4-[(2S)-4-methyl-1-phenylsulfanylpentan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one Traditional Name: 1-isobutyl-4-[(1S)-3-methyl-1-[(phenylthio)methyl]butyl]-1,4-diazepan-5-one Formula: C21H34N2OS MolecularWeight: 362.57246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2OS/c1-17(2)14-19(16-25-20-8-6-5-7-9-20)23-13-12-22(15-18(3)4)11-10-21(23)24/h5-9,17-19H,10-16H2,1-4H3/t19-/m0/s1