N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[[4-(1-imidazolylmethyl)phenyl]methyl]-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[4-(imidazol-1-ylmethyl)benzyl]-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4

Isomeric SMILES

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4

InChI

InChI=1S/C23H24N4O2S/c1-30-21-8-6-20(7-9-21)27-15-19(12-22(27)28)23(29)25-13-17-2-4-18(5-3-17)14-26-11-10-24-16-26/h2-11,16,19H,12-15H2,1H3,(H,25,29)