4-[(1S)-2-(4-methylphenyl)sulfanyl-1-phenyl-ethyl]-1-propyl-1,4-diazepan-5-one

Systemtic Name: 4-[(1S)-2-(4-methylphenyl)sulfanyl-1-phenyl-ethyl]-1-propyl-1,4-diazepan-5-one Openeye Name: 4-[(1S)-1-phenyl-2-(p-tolylsulfanyl)ethyl]-1-propyl-1,4-diazepan-5-one CAS Name: 4-[(1S)-2-[(4-methylphenyl)thio]-1-phenylethyl]-1-propyl-1,4-diazepan-5-one IUPAC Name: 4-[(1S)-2-(4-methylphenyl)sulfanyl-1-phenylethyl]-1-propyl-1,4-diazepan-5-one Traditional Name: 4-[(1S)-1-phenyl-2-(p-tolylthio)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(CSC2=CC=C(C=C2)C)C3=CC=CC=C3

Isomeric SMILES

CCCN1CCC(=O)N(CC1)[C@H](CSC2=CC=C(C=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C23H30N2OS/c1-3-14-24-15-13-23(26)25(17-16-24)22(20-7-5-4-6-8-20)18-27-21-11-9-19(2)10-12-21/h4-12,22H,3,13-18H2,1-2H3/t22-/m1/s1