methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-morpholino-2,1,3-benzoxadiazol-7-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[[4-(4-morpholinyl)-2,1,3-benzoxadiazol-7-yl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(7-morpholinobenzofurazan-4-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C23H28N6O5S2 MolecularWeight: 532.63562

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=C(C3=NON=C23)N4CCOCC4)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=C(C3=NON=C23)N4CCOCC4)C(=O)OC)C

InChI

InChI=1S/C23H28N6O5S2/c1-5-28(6-2)21(30)19-13(3)16(22(31)32-4)20(36-19)25-23(35)24-14-7-8-15(18-17(14)26-34-27-18)29-9-11-33-12-10-29/h7-8H,5-6,9-12H2,1-4H3,(H2,24,25,35)