N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H20N4O2S/c1-27-15-6-4-5-14(10-15)24-12-13(9-19(24)25)20(26)21-11-18-22-16-7-2-3-8-17(16)23-18/h2-8,10,13H,9,11-12H2,1H3,(H,21,26)(H,22,23)