methyl 4-[2-(furan-2-ylmethylsulfanyl)ethylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[2-(furan-2-ylmethylsulfanyl)ethylcarbamothioylamino]benzoate Openeye Name: methyl 4-[2-(2-furylmethylsulfanyl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(2-furanylmethylthio)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(furan-2-ylmethylsulfanyl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(2-furfurylthio)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C16H18N2O3S2 MolecularWeight: 350.45572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NCCSCC2=CC=CO2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NCCSCC2=CC=CO2

InChI

InChI=1S/C16H18N2O3S2/c1-20-15(19)12-4-6-13(7-5-12)18-16(22)17-8-10-23-11-14-3-2-9-21-14/h2-7,9H,8,10-11H2,1H3,(H2,17,18,22)