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

Systemtic Name: 4-[(2S)-1-(4-phenylmethoxyphenyl)-3-phenylsulfanyl-propan-2-yl]-1-(phenylmethyl)-1,4-diazepan-5-one Openeye Name: 1-benzyl-4-[(1S)-1-[(4-benzyloxyphenyl)methyl]-2-phenylsulfanyl-ethyl]-1,4-diazepan-5-one CAS Name: 4-[(2S)-1-(4-phenylmethoxyphenyl)-3-(phenylthio)propan-2-yl]-1-(phenylmethyl)-1,4-diazepan-5-one IUPAC Name: 1-benzyl-4-[(2S)-1-(4-phenylmethoxyphenyl)-3-phenylsulfanylpropan-2-yl]-1,4-diazepan-5-one Traditional Name: 4-[(1S)-1-(4-benzoxybenzyl)-2-(phenylthio)ethyl]-1-benzyl-1,4-diazepan-5-one Formula: C34H36N2O2S MolecularWeight: 536.72684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)C(CC2=CC=C(C=C2)OCC3=CC=CC=C3)CSC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1=O)[C@@H](CC2=CC=C(C=C2)OCC3=CC=CC=C3)CSC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C34H36N2O2S/c37-34-20-21-35(25-29-10-4-1-5-11-29)22-23-36(34)31(27-39-33-14-8-3-9-15-33)24-28-16-18-32(19-17-28)38-26-30-12-6-2-7-13-30/h1-19,31H,20-27H2/t31-/m0/s1