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

Systemtic Name: methyl 4-[2-(4-methylphenyl)sulfanylethylcarbamothioylamino]butanoate Openeye Name: methyl 4-[2-(p-tolylsulfanyl)ethylcarbamothioylamino]butanoate CAS Name: 4-[[[2-[(4-methylphenyl)thio]ethylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[2-(4-methylphenyl)sulfanylethylcarbamothioylamino]butanoate Traditional Name: 4-[2-(p-tolylthio)ethylthiocarbamoylamino]butyric acid methyl ester Formula: C15H22N2O2S2 MolecularWeight: 326.47738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C15H22N2O2S2/c1-12-5-7-13(8-6-12)21-11-10-17-15(20)16-9-3-4-14(18)19-2/h5-8H,3-4,9-11H2,1-2H3,(H2,16,17,20)