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

Systemtic Name: 5-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]isoxazole-3-carboxamide CAS Name: 5-methyl-N-[[4-pentoxy-3-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-isoxazolecarboxamide IUPAC Name: 5-methyl-N-[[4-pentoxy-3-(trifluoromethyl)phenyl]carbamothioyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[[4-amoxy-3-(trifluoromethyl)phenyl]thiocarbamoyl]-5-methyl-isoxazole-3-carboxamide Formula: C18H20F3N3O3S MolecularWeight: 415.42991

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=NOC(=C2)C)C(F)(F)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=NOC(=C2)C)C(F)(F)F

InChI

InChI=1S/C18H20F3N3O3S/c1-3-4-5-8-26-15-7-6-12(10-13(15)18(19,20)21)22-17(28)23-16(25)14-9-11(2)27-24-14/h6-7,9-10H,3-5,8H2,1-2H3,(H2,22,23,25,28)