methyl 4-methyl-3-(3-methylsulfanylpropylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-methyl-3-(3-methylsulfanylpropylcarbamothioylamino)benzoate Openeye Name: methyl 4-methyl-3-(3-methylsulfanylpropylcarbamothioylamino)benzoate CAS Name: 4-methyl-3-[[[3-(methylthio)propylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-(3-methylsulfanylpropylcarbamothioylamino)benzoate Traditional Name: 4-methyl-3-[3-(methylthio)propylthiocarbamoylamino]benzoic acid methyl ester Formula: C14H20N2O2S2 MolecularWeight: 312.4508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCCCSC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCCCSC

InChI

InChI=1S/C14H20N2O2S2/c1-10-5-6-11(13(17)18-2)9-12(10)16-14(19)15-7-4-8-20-3/h5-6,9H,4,7-8H2,1-3H3,(H2,15,16,19)