ethyl 4-[[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-(6-morpholinopyridazin-3-yl)piperazine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-(6-morpholinopyridazin-3-yl)piperazine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C22H28N6O3S MolecularWeight: 456.56112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H28N6O3S/c1-2-31-21(29)17-3-5-18(6-4-17)23-22(32)28-11-9-26(10-12-28)19-7-8-20(25-24-19)27-13-15-30-16-14-27/h3-8H,2,9-16H2,1H3,(H,23,32)