methyl 4-[(2-methylphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(2-methylphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-(o-tolylcarbamothioylamino)butanoate CAS Name: 4-[[(2-methylanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-methylphenyl)carbamothioylamino]butanoate Traditional Name: 4-(o-tolylthiocarbamoylamino)butyric acid methyl ester Formula: C13H18N2O2S MolecularWeight: 266.35922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C13H18N2O2S/c1-10-6-3-4-7-11(10)15-13(18)14-9-5-8-12(16)17-2/h3-4,6-7H,5,8-9H2,1-2H3,(H2,14,15,18)