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

Systemtic Name: methyl 4-morpholin-4-yl-3-(thiophen-2-ylcarbonylcarbamothioylamino)benzoate Openeye Name: methyl 4-morpholino-3-(thiophene-2-carbonylcarbamothioylamino)benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-(thiophene-2-carbonylcarbamothioylamino)benzoate Traditional Name: 4-morpholino-3-(2-thenoylthiocarbamoylamino)benzoic acid methyl ester Formula: C18H19N3O4S2 MolecularWeight: 405.49116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S2/c1-24-17(23)12-4-5-14(21-6-8-25-9-7-21)13(11-12)19-18(26)20-16(22)15-3-2-10-27-15/h2-5,10-11H,6-9H2,1H3,(H2,19,20,22,26)