methyl 6-[(2-methylphenyl)methylcarbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(2-methylphenyl)methylcarbamothioylamino]hexanoate Openeye Name: methyl 6-(o-tolylmethylcarbamothioylamino)hexanoate CAS Name: 6-[[[(2-methylphenyl)methylamino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-methylphenyl)methylcarbamothioylamino]hexanoate Traditional Name: 6-[(2-methylbenzyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H24N2O2S MolecularWeight: 308.43896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CNC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C16H24N2O2S/c1-13-8-5-6-9-14(13)12-18-16(21)17-11-7-3-4-10-15(19)20-2/h5-6,8-9H,3-4,7,10-12H2,1-2H3,(H2,17,18,21)