methyl 4-(morpholin-4-ylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(morpholin-4-ylcarbamothioylamino)benzoate Openeye Name: methyl 4-(morpholinocarbamothioylamino)benzoate CAS Name: 4-[[(4-morpholinylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(morpholin-4-ylcarbamothioylamino)benzoate Traditional Name: 4-(morpholinothiocarbamoylamino)benzoic acid methyl ester Formula: C13H17N3O3S MolecularWeight: 295.35738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NN2CCOCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NN2CCOCC2

InChI

InChI=1S/C13H17N3O3S/c1-18-12(17)10-2-4-11(5-3-10)14-13(20)15-16-6-8-19-9-7-16/h2-5H,6-9H2,1H3,(H2,14,15,20)