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

Systemtic Name: methyl 5-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[sulfanylidene-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C24H22F3N3O2S2 MolecularWeight: 505.57559

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C24H22F3N3O2S2/c1-32-22(31)19-15-20(16-6-3-2-4-7-16)34-21(19)28-23(33)30-12-10-29(11-13-30)18-9-5-8-17(14-18)24(25,26)27/h2-9,14-15H,10-13H2,1H3,(H,28,33)