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

Systemtic Name: methyl 4-(4-methylphenyl)sulfanyl-3-[(3-methylsulfanylphenyl)carbamothioylamino]benzoate Openeye Name: methyl 3-[(3-methylsulfanylphenyl)carbamothioylamino]-4-(p-tolylsulfanyl)benzoate CAS Name: 4-[(4-methylphenyl)thio]-3-[[[3-(methylthio)anilino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)sulfanyl-3-[(3-methylsulfanylphenyl)carbamothioylamino]benzoate Traditional Name: 3-[[3-(methylthio)phenyl]thiocarbamoylamino]-4-(p-tolylthio)benzoic acid methyl ester Formula: C23H22N2O2S3 MolecularWeight: 454.62798

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O2S3/c1-15-7-10-18(11-8-15)30-21-12-9-16(22(26)27-2)13-20(21)25-23(28)24-17-5-4-6-19(14-17)29-3/h4-14H,1-3H3,(H2,24,25,28)