2-(dimethylcarbamoylamino)-4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-3-carboxylic acid

Systemtic Name: 2-(dimethylcarbamoylamino)-4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-3-carboxylic acid Openeye Name: 2-(dimethylcarbamoylamino)-4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-3-carboxylic acid CAS Name: 2-[[dimethylamino(oxo)methyl]amino]-4-[[4-(trifluoromethyl)phenyl]methylthio]-3-thiophenecarboxylic acid IUPAC Name: 2-(dimethylcarbamoylamino)-4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-3-carboxylic acid Traditional Name: 2-(dimethylcarbamoylamino)-4-[[4-(trifluoromethyl)benzyl]thio]-3-thenoic acid Formula: C16H15F3N2O3S2 MolecularWeight: 404.42711

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=C(C(=CS1)SCC2=CC=C(C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CN(C)C(=O)NC1=C(C(=CS1)SCC2=CC=C(C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H15F3N2O3S2/c1-21(2)15(24)20-13-12(14(22)23)11(8-26-13)25-7-9-3-5-10(6-4-9)16(17,18)19/h3-6,8H,7H2,1-2H3,(H,20,24)(H,22,23)