4-[3-azanyl-4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]phenoxy]-N-methyl-pyridine-2-carboxamide

Systemtic Name: 4-[3-azanyl-4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamothioylamino]phenoxy]-N-methyl-pyridine-2-carboxamide Openeye Name: 4-[3-amino-4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]phenoxy]-N-methyl-pyridine-2-carboxamide CAS Name: 4-[3-amino-4-[[[4-chloro-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]phenoxy]-N-methyl-2-pyridinecarboxamide IUPAC Name: 4-[3-amino-4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide Traditional Name: 4-[3-amino-4-[[4-chloro-3-(trifluoromethyl)phenyl]thiocarbamoylamino]phenoxy]-N-methyl-picolinamide Formula: C21H17ClF3N5O2S MolecularWeight: 495.90519

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F)N

Isomeric SMILES

CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=S)NC3=CC(=C(C=C3)Cl)C(F)(F)F)N

InChI

InChI=1S/C21H17ClF3N5O2S/c1-27-19(31)18-10-13(6-7-28-18)32-12-3-5-17(16(26)9-12)30-20(33)29-11-2-4-15(22)14(8-11)21(23,24)25/h2-10H,26H2,1H3,(H,27,31)(H2,29,30,33)