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

Systemtic Name: 1-(phenylmethyl)-4-[(1S)-1-phenyl-2-phenylsulfanyl-ethyl]-1,4-diazepan-5-one Openeye Name: 1-benzyl-4-[(1S)-1-phenyl-2-phenylsulfanyl-ethyl]-1,4-diazepan-5-one CAS Name: 1-(phenylmethyl)-4-[(1S)-1-phenyl-2-(phenylthio)ethyl]-1,4-diazepan-5-one IUPAC Name: 1-benzyl-4-[(1S)-1-phenyl-2-phenylsulfanylethyl]-1,4-diazepan-5-one Traditional Name: 1-benzyl-4-[(1S)-1-phenyl-2-(phenylthio)ethyl]-1,4-diazepan-5-one Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)C(CSC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1=O)[C@H](CSC2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28N2OS/c29-26-16-17-27(20-22-10-4-1-5-11-22)18-19-28(26)25(23-12-6-2-7-13-23)21-30-24-14-8-3-9-15-24/h1-15,25H,16-21H2/t25-/m1/s1