methyl 6-[[methyl-[(4-methylsulfanylphenyl)methyl]carbamothioyl]amino]hexanoate

Systemtic Name: methyl 6-[[methyl-[(4-methylsulfanylphenyl)methyl]carbamothioyl]amino]hexanoate Openeye Name: methyl 6-[[methyl-[(4-methylsulfanylphenyl)methyl]carbamothioyl]amino]hexanoate CAS Name: 6-[[[methyl-[[4-(methylthio)phenyl]methyl]amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[methyl-[(4-methylsulfanylphenyl)methyl]carbamothioyl]amino]hexanoate Traditional Name: 6-[[methyl-[4-(methylthio)benzyl]thiocarbamoyl]amino]hexanoic acid methyl ester Formula: C17H26N2O2S2 MolecularWeight: 354.53054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=S)NCCCCCC(=O)OC

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C17H26N2O2S2/c1-19(13-14-8-10-15(23-3)11-9-14)17(22)18-12-6-4-5-7-16(20)21-2/h8-11H,4-7,12-13H2,1-3H3,(H,18,22)