3-(4-fluorophenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxamide Openeye Name: 3-(4-fluorophenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thioxo-1H-imidazole-4-carboxamide CAS Name: 3-(4-fluorophenyl)-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxamide IUPAC Name: 3-(4-fluorophenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-imidazole-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-N-[2-(pyrrolidinomethyl)benzyl]-2-thioxo-4-imidazoline-4-carboxamide Formula: C22H23FN4OS MolecularWeight: 410.507623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3=CNC(=S)N3C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3=CNC(=S)N3C4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4OS/c23-18-7-9-19(10-8-18)27-20(14-25-22(27)29)21(28)24-13-16-5-1-2-6-17(16)15-26-11-3-4-12-26/h1-2,5-10,14H,3-4,11-13,15H2,(H,24,28)(H,25,29)