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

Systemtic Name: 2-methyl-N-[(4-pentoxyphenyl)carbamothioyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide Openeye Name: 2-methyl-N-[(4-pentoxyphenyl)carbamothioyl]-5-(trifluoromethyl)oxazole-4-carboxamide CAS Name: 2-methyl-N-[(4-pentoxyanilino)-sulfanylidenemethyl]-5-(trifluoromethyl)-4-oxazolecarboxamide IUPAC Name: 2-methyl-N-[(4-pentoxyphenyl)carbamothioyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]-2-methyl-5-(trifluoromethyl)oxazole-4-carboxamide Formula: C18H20F3N3O3S MolecularWeight: 415.42991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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