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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-[4-(1-piperidyl)phenyl]pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-[4-(1-piperidinyl)phenyl]-3-pyridazinyl]thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-homoveratryl-2-[[6-(4-piperidinophenyl)pyridazin-3-yl]thio]acetamide Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O3S/c1-33-24-12-6-20(18-25(24)34-2)14-15-28-26(32)19-35-27-13-11-23(29-30-27)21-7-9-22(10-8-21)31-16-4-3-5-17-31/h6-13,18H,3-5,14-17,19H2,1-2H3,(H,28,32)