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

Systemtic Name: 4-[(2S)-3-methyl-1-phenylsulfanyl-butan-2-yl]-1-(phenylmethyl)-1,4-diazepan-5-one Openeye Name: 1-benzyl-4-[(1S)-2-methyl-1-(phenylsulfanylmethyl)propyl]-1,4-diazepan-5-one CAS Name: 4-[(2S)-3-methyl-1-(phenylthio)butan-2-yl]-1-(phenylmethyl)-1,4-diazepan-5-one IUPAC Name: 1-benzyl-4-[(2S)-3-methyl-1-phenylsulfanylbutan-2-yl]-1,4-diazepan-5-one Traditional Name: 1-benzyl-4-[(1S)-2-methyl-1-[(phenylthio)methyl]propyl]-1,4-diazepan-5-one Formula: C23H30N2OS MolecularWeight: 382.5621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2OS/c1-19(2)22(18-27-21-11-7-4-8-12-21)25-16-15-24(14-13-23(25)26)17-20-9-5-3-6-10-20/h3-12,19,22H,13-18H2,1-2H3/t22-/m1/s1