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

Systemtic Name: ethyl 4-[(3-methoxyphenyl)carbamothioylamino]butanoate Openeye Name: ethyl 4-[(3-methoxyphenyl)carbamothioylamino]butanoate CAS Name: 4-[[(3-methoxyanilino)-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-[(3-methoxyphenyl)thiocarbamoylamino]butyric acid ethyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NC1=CC(=CC=C1)OC

Isomeric SMILES

CCOC(=O)CCCNC(=S)NC1=CC(=CC=C1)OC

InChI

InChI=1S/C14H20N2O3S/c1-3-19-13(17)8-5-9-15-14(20)16-11-6-4-7-12(10-11)18-2/h4,6-7,10H,3,5,8-9H2,1-2H3,(H2,15,16,20)