N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-[4-(1-piperidyl)phenyl]pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-[4-(1-piperidinyl)phenyl]-3-pyridazinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: 2-[[6-(4-piperidinophenyl)pyridazin-3-yl]thio]-N-piperonyl-acetamide Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C3=NN=C(C=C3)SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C3=NN=C(C=C3)SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H26N4O3S/c30-24(26-15-18-4-10-22-23(14-18)32-17-31-22)16-33-25-11-9-21(27-28-25)19-5-7-20(8-6-19)29-12-2-1-3-13-29/h4-11,14H,1-3,12-13,15-17H2,(H,26,30)