N-(2,6-dimethylphenyl)-2-[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[[4-(trifluoromethyloxy)phenyl]carbamothioylamino]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[sulfanylidene-[4-(trifluoromethoxy)anilino]methyl]amino]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[4-(trifluoromethoxy)phenyl]thiocarbamoylamino]acetamide Formula: C18H18F3N3O2S MolecularWeight: 397.41463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CNC(=S)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNC(=S)NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C18H18F3N3O2S/c1-11-4-3-5-12(2)16(11)24-15(25)10-22-17(27)23-13-6-8-14(9-7-13)26-18(19,20)21/h3-9H,10H2,1-2H3,(H,24,25)(H2,22,23,27)