methyl 6-[(4-methylsulfanylphenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(4-methylsulfanylphenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(4-methylsulfanylphenyl)carbamothioylamino]hexanoate CAS Name: 6-[[[4-(methylthio)anilino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-methylsulfanylphenyl)carbamothioylamino]hexanoate Traditional Name: 6-[[4-(methylthio)phenyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H22N2O2S2 MolecularWeight: 326.47738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC=C(C=C1)SC

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC=C(C=C1)SC

InChI

InChI=1S/C15H22N2O2S2/c1-19-14(18)6-4-3-5-11-16-15(20)17-12-7-9-13(21-2)10-8-12/h7-10H,3-6,11H2,1-2H3,(H2,16,17,20)