N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide Openeye Name: N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-2-(3-pyridyl)thiazole-4-carboxamide CAS Name: N-[[4-pentoxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-2-(3-pyridinyl)-4-thiazolecarboxamide IUPAC Name: N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide Traditional Name: N-[[4-amoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]-2-(3-pyridyl)thiazole-4-carboxamide Formula: C22H21F3N4O2S2 MolecularWeight: 494.55295

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CSC(=N2)C3=CN=CC=C3)C(F)(F)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CSC(=N2)C3=CN=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H21F3N4O2S2/c1-2-3-4-10-31-18-8-7-15(11-16(18)22(23,24)25)27-21(32)29-19(30)17-13-33-20(28-17)14-6-5-9-26-12-14/h5-9,11-13H,2-4,10H2,1H3,(H2,27,29,30,32)