methyl 4-[(3-methylsulfanylphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(3-methylsulfanylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(3-methylsulfanylphenyl)carbamothioylamino]butanoate CAS Name: 4-[[[3-(methylthio)anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-methylsulfanylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[[3-(methylthio)phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C13H18N2O2S2 MolecularWeight: 298.42422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=CC(=CC=C1)SC

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC(=CC=C1)SC

InChI

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