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

Systemtic Name: 3-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]-2-methylsulfanyl-imidazole-4-carboxamide Openeye Name: 3-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]-2-methylsulfanyl-imidazole-4-carboxamide CAS Name: 3-(4-fluorophenyl)-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-(methylthio)-4-imidazolecarboxamide IUPAC Name: 3-(4-fluorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]-2-methylsulfanylimidazole-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-N-[4-(isobutyrylamino)phenyl]-2-(methylthio)imidazole-4-carboxamide Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC

InChI

InChI=1S/C21H21FN4O2S/c1-13(2)19(27)24-15-6-8-16(9-7-15)25-20(28)18-12-23-21(29-3)26(18)17-10-4-14(22)5-11-17/h4-13H,1-3H3,(H,24,27)(H,25,28)