methyl 3-(3-methylsulfanylpropylcarbamothioylamino)benzoate

Systemtic Name: methyl 3-(3-methylsulfanylpropylcarbamothioylamino)benzoate Openeye Name: methyl 3-(3-methylsulfanylpropylcarbamothioylamino)benzoate CAS Name: 3-[[[3-(methylthio)propylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(3-methylsulfanylpropylcarbamothioylamino)benzoate Traditional Name: 3-[3-(methylthio)propylthiocarbamoylamino]benzoic acid methyl ester Formula: C13H18N2O2S2 MolecularWeight: 298.42422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=S)NCCCSC

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=S)NCCCSC

InChI

InChI=1S/C13H18N2O2S2/c1-17-12(16)10-5-3-6-11(9-10)15-13(18)14-7-4-8-19-2/h3,5-6,9H,4,7-8H2,1-2H3,(H2,14,15,18)