N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)ethyl]-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)ethyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)ethyl]-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)NC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC

Isomeric SMILES

CC(C1=NC2=CC=CC=C2N1)NC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC

InChI

InChI=1S/C21H22N4O2S/c1-13(20-23-17-8-3-4-9-18(17)24-20)22-21(27)14-10-19(26)25(12-14)15-6-5-7-16(11-15)28-2/h3-9,11,13-14H,10,12H2,1-2H3,(H,22,27)(H,23,24)