methyl 5-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[sulfanylidene-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H22F3N3O2S2 MolecularWeight: 457.53279

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C20H22F3N3O2S2/c1-3-15-12-16(18(27)28-2)17(30-15)24-19(29)26-9-7-25(8-10-26)14-6-4-5-13(11-14)20(21,22)23/h4-6,11-12H,3,7-10H2,1-2H3,(H,24,29)