N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide Traditional Name: N-[3-(cyclopropanecarbonylamino)benzyl]-3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxamide Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C22H21FN4O2S/c1-30-22-25-13-19(27(22)18-9-7-16(23)8-10-18)21(29)24-12-14-3-2-4-17(11-14)26-20(28)15-5-6-15/h2-4,7-11,13,15H,5-6,12H2,1H3,(H,24,29)(H,26,28)