N-(4-ethoxyphenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbothioamide

Systemtic Name: N-(4-ethoxyphenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-4-(6-morpholinopyridazin-3-yl)piperazine-1-carbothioamide CAS Name: N-(4-ethoxyphenyl)-4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-ethoxyphenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbothioamide Traditional Name: 4-(6-morpholinopyridazin-3-yl)-N-p-phenetyl-piperazine-1-carbothioamide Formula: C21H28N6O2S MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H28N6O2S/c1-2-29-18-5-3-17(4-6-18)22-21(30)27-11-9-25(10-12-27)19-7-8-20(24-23-19)26-13-15-28-16-14-26/h3-8H,2,9-16H2,1H3,(H,22,30)