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

Systemtic Name: 1-phenethyl-4-[(2S)-1-phenyl-3-phenylsulfanyl-propan-2-yl]-1,4-diazepan-5-one Openeye Name: 4-[(1S)-1-benzyl-2-phenylsulfanyl-ethyl]-1-phenethyl-1,4-diazepan-5-one CAS Name: 1-phenethyl-4-[(2S)-1-phenyl-3-(phenylthio)propan-2-yl]-1,4-diazepan-5-one IUPAC Name: 1-phenethyl-4-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-1,4-diazepan-5-one Traditional Name: 4-[(1S)-1-benzyl-2-(phenylthio)ethyl]-1-phenethyl-1,4-diazepan-5-one Formula: C28H32N2OS MolecularWeight: 444.63148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)C(CC2=CC=CC=C2)CSC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1=O)[C@@H](CC2=CC=CC=C2)CSC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C28H32N2OS/c31-28-17-19-29(18-16-24-10-4-1-5-11-24)20-21-30(28)26(22-25-12-6-2-7-13-25)23-32-27-14-8-3-9-15-27/h1-15,26H,16-23H2/t26-/m0/s1