N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-keto-1-p-phenetyl-pyrrolidine-3-carboxamide Formula: C24H28N4O3S MolecularWeight: 452.56912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N[C@@H](CCSC)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C24H28N4O3S/c1-3-31-18-10-8-17(9-11-18)28-15-16(14-22(28)29)24(30)27-21(12-13-32-2)23-25-19-6-4-5-7-20(19)26-23/h4-11,16,21H,3,12-15H2,1-2H3,(H,25,26)(H,27,30)/t16?,21-/m0/s1