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

Systemtic Name: 1-(phenylmethyl)-4-[(2S)-1-phenyl-3-phenylsulfanyl-propan-2-yl]-1,4-diazepan-5-one Openeye Name: 1-benzyl-4-[(1S)-1-benzyl-2-phenylsulfanyl-ethyl]-1,4-diazepan-5-one CAS Name: 1-(phenylmethyl)-4-[(2S)-1-phenyl-3-(phenylthio)propan-2-yl]-1,4-diazepan-5-one IUPAC Name: 1-benzyl-4-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-1,4-diazepan-5-one Traditional Name: 1-benzyl-4-[(1S)-1-benzyl-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(CC2=CC=CC=C2)CSC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1=O)[C@@H](CC2=CC=CC=C2)CSC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N2OS/c30-27-16-17-28(21-24-12-6-2-7-13-24)18-19-29(27)25(20-23-10-4-1-5-11-23)22-31-26-14-8-3-9-15-26/h1-15,25H,16-22H2/t25-/m0/s1