methyl 4-(4-fluorophenyl)sulfanyl-3-[(3-methylsulfanylphenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-(4-fluorophenyl)sulfanyl-3-[(3-methylsulfanylphenyl)carbamothioylamino]benzoate Openeye Name: methyl 4-(4-fluorophenyl)sulfanyl-3-[(3-methylsulfanylphenyl)carbamothioylamino]benzoate CAS Name: 4-[(4-fluorophenyl)thio]-3-[[[3-(methylthio)anilino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)sulfanyl-3-[(3-methylsulfanylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-fluorophenyl)thio]-3-[[3-(methylthio)phenyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C22H19FN2O2S3 MolecularWeight: 458.591863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)F)NC(=S)NC3=CC(=CC=C3)SC

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)F)NC(=S)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H19FN2O2S3/c1-27-21(26)14-6-11-20(30-17-9-7-15(23)8-10-17)19(12-14)25-22(28)24-16-4-3-5-18(13-16)29-2/h3-13H,1-2H3,(H2,24,25,28)