N-(2,4-dimethoxyphenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(2,4-dimethoxyphenyl)-2-[6-[4-(1-piperidyl)phenyl]pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(2,4-dimethoxyphenyl)-2-[[6-[4-(1-piperidinyl)phenyl]-3-pyridazinyl]thio]acetamide IUPAC Name: N-(2,4-dimethoxyphenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(2,4-dimethoxyphenyl)-2-[[6-(4-piperidinophenyl)pyridazin-3-yl]thio]acetamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4CCCCC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4CCCCC4)OC

InChI

InChI=1S/C25H28N4O3S/c1-31-20-10-11-22(23(16-20)32-2)26-24(30)17-33-25-13-12-21(27-28-25)18-6-8-19(9-7-18)29-14-4-3-5-15-29/h6-13,16H,3-5,14-15,17H2,1-2H3,(H,26,30)