methyl 3-(2,1,3-benzothiadiazol-5-ylcarbonylcarbamothioylamino)-4-morpholin-4-yl-benzoate

Systemtic Name: methyl 3-(2,1,3-benzothiadiazol-5-ylcarbonylcarbamothioylamino)-4-morpholin-4-yl-benzoate Openeye Name: methyl 3-(2,1,3-benzothiadiazole-5-carbonylcarbamothioylamino)-4-morpholino-benzoate CAS Name: 3-[[[[2,1,3-benzothiadiazol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 3-(2,1,3-benzothiadiazole-5-carbonylcarbamothioylamino)-4-morpholin-4-ylbenzoate Traditional Name: 4-morpholino-3-(piazthiole-5-carbonylthiocarbamoylamino)benzoic acid methyl ester Formula: C20H19N5O4S2 MolecularWeight: 457.52596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3

InChI

InChI=1S/C20H19N5O4S2/c1-28-19(27)13-3-5-17(25-6-8-29-9-7-25)16(11-13)21-20(30)22-18(26)12-2-4-14-15(10-12)24-31-23-14/h2-5,10-11H,6-9H2,1H3,(H2,21,22,26,30)