4-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: 4-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,2,3-thiadiazole-5-carboxamide Openeye Name: 4-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]thiadiazole-5-carboxamide CAS Name: 4-methyl-N-[[4-pentoxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-5-thiadiazolecarboxamide IUPAC Name: 4-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]thiadiazole-5-carboxamide Traditional Name: N-[[4-amoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]-4-methyl-thiadiazole-5-carboxamide Formula: C17H19F3N4O2S2 MolecularWeight: 432.48357

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(N=NS2)C)C(F)(F)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=C(N=NS2)C)C(F)(F)F

InChI

InChI=1S/C17H19F3N4O2S2/c1-3-4-5-8-26-13-7-6-11(9-12(13)17(18,19)20)21-16(27)22-15(25)14-10(2)23-24-28-14/h6-7,9H,3-5,8H2,1-2H3,(H2,21,22,25,27)