ethyl 4-morpholin-4-yl-3-(thiophen-2-ylcarbonylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-morpholin-4-yl-3-(thiophen-2-ylcarbonylcarbamothioylamino)benzoate Openeye Name: ethyl 4-morpholino-3-(thiophene-2-carbonylcarbamothioylamino)benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-morpholin-4-yl-3-(thiophene-2-carbonylcarbamothioylamino)benzoate Traditional Name: 4-morpholino-3-(2-thenoylthiocarbamoylamino)benzoic acid ethyl ester Formula: C19H21N3O4S2 MolecularWeight: 419.51774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C19H21N3O4S2/c1-2-26-18(24)13-5-6-15(22-7-9-25-10-8-22)14(12-13)20-19(27)21-17(23)16-4-3-11-28-16/h3-6,11-12H,2,7-10H2,1H3,(H2,20,21,23,27)