2-methoxyethyl 4-oxidanylidene-4-[(3-propoxyphenyl)carbamothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[(3-propoxyphenyl)carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[(3-propoxyphenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[(3-propoxyanilino)-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[(3-propoxyphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(3-propoxyphenyl)thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C17H24N2O5S MolecularWeight: 368.44786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CCCOC1=CC=CC(=C1)NC(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C17H24N2O5S/c1-3-9-23-14-6-4-5-13(12-14)18-17(25)19-15(20)7-8-16(21)24-11-10-22-2/h4-6,12H,3,7-11H2,1-2H3,(H2,18,19,20,25)