methyl 4-(4-methylphenyl)sulfanyl-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-(4-methylphenyl)sulfanyl-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzoate Openeye Name: methyl 4-(p-tolylsulfanyl)-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzoate CAS Name: 4-[(4-methylphenyl)thio]-3-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)sulfanyl-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]benzoate Traditional Name: 4-(p-tolylthio)-3-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C23H19F3N2O2S2 MolecularWeight: 476.53437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OC)NC(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OC)NC(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C23H19F3N2O2S2/c1-14-6-9-18(10-7-14)32-20-11-8-15(21(29)30-2)12-19(20)28-22(31)27-17-5-3-4-16(13-17)23(24,25)26/h3-13H,1-2H3,(H2,27,28,31)