diethyl 5-[[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-[(6-chloro-3-pyridazinyl)amino]anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-[(6-chloropyridazin-3-yl)amino]phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H22ClN5O4S2 MolecularWeight: 520.02418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)NC3=NN=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)NC3=NN=C(C=C3)Cl

InChI

InChI=1S/C22H22ClN5O4S2/c1-4-31-20(29)17-12(3)18(21(30)32-5-2)34-19(17)26-22(33)25-14-8-6-13(7-9-14)24-16-11-10-15(23)27-28-16/h6-11H,4-5H2,1-3H3,(H,24,28)(H2,25,26,33)