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

Systemtic Name: methyl 5-methyl-4-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[sulfanylidene-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C25H24F3N3O2S2 MolecularWeight: 519.60217

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H24F3N3O2S2/c1-16-20(17-7-4-3-5-8-17)21(23(32)33-2)22(35-16)29-24(34)31-13-11-30(12-14-31)19-10-6-9-18(15-19)25(26,27)28/h3-10,15H,11-14H2,1-2H3,(H,29,34)