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

Systemtic Name: N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]thiadiazole-4-carboxamide CAS Name: N-[[4-pentoxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-4-thiadiazolecarboxamide IUPAC Name: N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]thiadiazole-4-carboxamide Traditional Name: N-[[4-amoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]thiadiazole-4-carboxamide Formula: C16H17F3N4O2S2 MolecularWeight: 418.45699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CSN=N2)C(F)(F)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CSN=N2)C(F)(F)F

InChI

InChI=1S/C16H17F3N4O2S2/c1-2-3-4-7-25-13-6-5-10(8-11(13)16(17,18)19)20-15(26)21-14(24)12-9-27-23-22-12/h5-6,8-9H,2-4,7H2,1H3,(H2,20,21,24,26)