methyl 4-[(3-methoxyphenyl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(3-methoxyphenyl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(3-methoxyphenyl)carbamothioylamino]butanoate CAS Name: 4-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-methoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-methoxyphenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C13H18N2O3S MolecularWeight: 282.35862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NCCCC(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C13H18N2O3S/c1-17-11-6-3-5-10(9-11)15-13(19)14-8-4-7-12(16)18-2/h3,5-6,9H,4,7-8H2,1-2H3,(H2,14,15,19)