methyl 4-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(3-chloro-2-methyl-phenyl)carbamothioylamino]butanoate CAS Name: 4-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-chloro-2-methylphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C13H17ClN2O2S MolecularWeight: 300.80428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C13H17ClN2O2S/c1-9-10(14)5-3-6-11(9)16-13(19)15-8-4-7-12(17)18-2/h3,5-6H,4,7-8H2,1-2H3,(H2,15,16,19)