1-phenethyl-4-[(1S)-1-phenyl-2-phenylsulfanyl-ethyl]-1,4-diazepan-5-one

Systemtic Name: 1-phenethyl-4-[(1S)-1-phenyl-2-phenylsulfanyl-ethyl]-1,4-diazepan-5-one Openeye Name: 1-phenethyl-4-[(1S)-1-phenyl-2-phenylsulfanyl-ethyl]-1,4-diazepan-5-one CAS Name: 1-phenethyl-4-[(1S)-1-phenyl-2-(phenylthio)ethyl]-1,4-diazepan-5-one IUPAC Name: 1-phenethyl-4-[(1S)-1-phenyl-2-phenylsulfanylethyl]-1,4-diazepan-5-one Traditional Name: 1-phenethyl-4-[(1S)-1-phenyl-2-(phenylthio)ethyl]-1,4-diazepan-5-one Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)C(CSC2=CC=CC=C2)C3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1=O)[C@H](CSC2=CC=CC=C2)C3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2OS/c30-27-17-19-28(18-16-23-10-4-1-5-11-23)20-21-29(27)26(24-12-6-2-7-13-24)22-31-25-14-8-3-9-15-25/h1-15,26H,16-22H2/t26-/m1/s1