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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-oxidanylidene-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)-3-pyrrolidinecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-keto-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide Formula: C25H30N4O5S MolecularWeight: 498.5945

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)N2CC(CC2=O)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)N2CC(CC2=O)C(=O)N[C@@H](CCSC)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H30N4O5S/c1-32-20-12-16(13-21(33-2)23(20)34-3)29-14-15(11-22(29)30)25(31)28-19(9-10-35-4)24-26-17-7-5-6-8-18(17)27-24/h5-8,12-13,15,19H,9-11,14H2,1-4H3,(H,26,27)(H,28,31)/t15?,19-/m0/s1