(3S,5R)-5-but-3-enyl-3-(phenylmethyl)-1-(2-phenylsulfanylethyl)-1,4-diazepan-2-one

Systemtic Name: (3S,5R)-5-but-3-enyl-3-(phenylmethyl)-1-(2-phenylsulfanylethyl)-1,4-diazepan-2-one Openeye Name: (3S,5R)-3-benzyl-5-but-3-enyl-1-(2-phenylsulfanylethyl)-1,4-diazepan-2-one CAS Name: (3S,5R)-5-but-3-enyl-3-(phenylmethyl)-1-[2-(phenylthio)ethyl]-1,4-diazepan-2-one IUPAC Name: (3S,5R)-3-benzyl-5-but-3-enyl-1-(2-phenylsulfanylethyl)-1,4-diazepan-2-one Traditional Name: (3S,5R)-3-benzyl-5-but-3-enyl-1-[2-(phenylthio)ethyl]-1,4-diazepan-2-one Formula: C24H30N2OS MolecularWeight: 394.5728

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1CCN(C(=O)C(N1)CC2=CC=CC=C2)CCSC3=CC=CC=C3

Isomeric SMILES

C=CCC[C@@H]1CCN(C(=O)[C@@H](N1)CC2=CC=CC=C2)CCSC3=CC=CC=C3

InChI

InChI=1S/C24H30N2OS/c1-2-3-12-21-15-16-26(17-18-28-22-13-8-5-9-14-22)24(27)23(25-21)19-20-10-6-4-7-11-20/h2,4-11,13-14,21,23,25H,1,3,12,15-19H2/t21-,23+/m1/s1