2-acetamido-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 2-acetamido-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: 2-acetamido-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: 2-acetamido-N-[[4-pentoxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 2-acetamido-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: 2-acetamido-N-[[4-amoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]nicotinamide Formula: C21H23F3N4O3S MolecularWeight: 468.49253

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(N=CC=C2)NC(=O)C)C(F)(F)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(N=CC=C2)NC(=O)C)C(F)(F)F

InChI

InChI=1S/C21H23F3N4O3S/c1-3-4-5-11-31-17-9-8-14(12-16(17)21(22,23)24)27-20(32)28-19(30)15-7-6-10-25-18(15)26-13(2)29/h6-10,12H,3-5,11H2,1-2H3,(H,25,26,29)(H2,27,28,30,32)