ethyl 3-[2-(phenylmethylsulfanyl)ethylcarbamoylamino]benzoate

Systemtic Name: ethyl 3-[2-(phenylmethylsulfanyl)ethylcarbamoylamino]benzoate Openeye Name: ethyl 3-(2-benzylsulfanylethylcarbamoylamino)benzoate CAS Name: 3-[[oxo-[2-(phenylmethylthio)ethylamino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(2-benzylsulfanylethylcarbamoylamino)benzoate Traditional Name: 3-[2-(benzylthio)ethylcarbamoylamino]benzoic acid ethyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O3S/c1-2-24-18(22)16-9-6-10-17(13-16)21-19(23)20-11-12-25-14-15-7-4-3-5-8-15/h3-10,13H,2,11-12,14H2,1H3,(H2,20,21,23)