4-[(2S)-1-phenyl-3-phenylsulfanyl-propan-2-yl]-1-propyl-1,4-diazepan-5-one

Systemtic Name: 4-[(2S)-1-phenyl-3-phenylsulfanyl-propan-2-yl]-1-propyl-1,4-diazepan-5-one Openeye Name: 4-[(1S)-1-benzyl-2-phenylsulfanyl-ethyl]-1-propyl-1,4-diazepan-5-one CAS Name: 4-[(2S)-1-phenyl-3-(phenylthio)propan-2-yl]-1-propyl-1,4-diazepan-5-one IUPAC Name: 4-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-1-propyl-1,4-diazepan-5-one Traditional Name: 4-[(1S)-1-benzyl-2-(phenylthio)ethyl]-1-propyl-1,4-diazepan-5-one Formula: C23H30N2OS MolecularWeight: 382.5621

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(=O)N(CC1)C(CC2=CC=CC=C2)CSC3=CC=CC=C3

Isomeric SMILES

CCCN1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)CSC3=CC=CC=C3

InChI

InChI=1S/C23H30N2OS/c1-2-14-24-15-13-23(26)25(17-16-24)21(18-20-9-5-3-6-10-20)19-27-22-11-7-4-8-12-22/h3-12,21H,2,13-19H2,1H3/t21-/m0/s1