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

Systemtic Name: 4-[(2S)-4-methyl-1-phenylsulfanyl-pentan-2-yl]-1-propyl-1,4-diazepan-5-one Openeye Name: 4-[(1S)-3-methyl-1-(phenylsulfanylmethyl)butyl]-1-propyl-1,4-diazepan-5-one CAS Name: 4-[(2S)-4-methyl-1-(phenylthio)pentan-2-yl]-1-propyl-1,4-diazepan-5-one IUPAC Name: 4-[(2S)-4-methyl-1-phenylsulfanylpentan-2-yl]-1-propyl-1,4-diazepan-5-one Traditional Name: 4-[(1S)-3-methyl-1-[(phenylthio)methyl]butyl]-1-propyl-1,4-diazepan-5-one Formula: C20H32N2OS MolecularWeight: 348.54588

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(=O)N(CC1)C(CC(C)C)CSC2=CC=CC=C2

Isomeric SMILES

CCCN1CCC(=O)N(CC1)[C@@H](CC(C)C)CSC2=CC=CC=C2

InChI

InChI=1S/C20H32N2OS/c1-4-11-21-12-10-20(23)22(14-13-21)18(15-17(2)3)16-24-19-8-6-5-7-9-19/h5-9,17-18H,4,10-16H2,1-3H3/t18-/m0/s1