ethyl 2-[[methyl(phenyl)amino]-(4-methylphenyl)sulfonyl-carbamothioyl]sulfanylpropanoate

Systemtic Name: ethyl 2-[[methyl(phenyl)amino]-(4-methylphenyl)sulfonyl-carbamothioyl]sulfanylpropanoate Openeye Name: ethyl 2-[(N-methylanilino)-(p-tolylsulfonyl)carbamothioyl]sulfanylpropanoate CAS Name: 2-[[[(N-methylanilino)-(4-methylphenyl)sulfonylamino]-sulfanylidenemethyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(N-methylanilino)-(4-methylphenyl)sulfonylcarbamothioyl]sulfanylpropanoate Traditional Name: 2-[[(N-methylanilino)-tosyl-thiocarbamoyl]thio]propionic acid ethyl ester Formula: C20H24N2O4S3 MolecularWeight: 452.61056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC(=S)N(N(C)C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C(C)SC(=S)N(N(C)C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H24N2O4S3/c1-5-26-19(23)16(3)28-20(27)22(21(4)17-9-7-6-8-10-17)29(24,25)18-13-11-15(2)12-14-18/h6-14,16H,5H2,1-4H3