methyl 4-[2-(4-methylphenyl)sulfanylethylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[2-(4-methylphenyl)sulfanylethylcarbamothioylamino]benzoate Openeye Name: methyl 4-[2-(p-tolylsulfanyl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-[(4-methylphenyl)thio]ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-methylphenyl)sulfanylethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(p-tolylthio)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C18H20N2O2S2 MolecularWeight: 360.4936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H20N2O2S2/c1-13-3-9-16(10-4-13)24-12-11-19-18(23)20-15-7-5-14(6-8-15)17(21)22-2/h3-10H,11-12H2,1-2H3,(H2,19,20,23)