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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-2-[6-[4-(1-piperidyl)phenyl]pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-[[6-[4-(1-piperidinyl)phenyl]-3-pyridazinyl]thio]acetamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-m-anisyl-2-[[6-(4-piperidinophenyl)pyridazin-3-yl]thio]acetamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O2S/c1-31-22-7-5-6-19(16-22)17-26-24(30)18-32-25-13-12-23(27-28-25)20-8-10-21(11-9-20)29-14-3-2-4-15-29/h5-13,16H,2-4,14-15,17-18H2,1H3,(H,26,30)