N-(1,3-benzodioxol-5-ylmethyl)-2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-yl-pyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-yl-pyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-cyano-6-(4-methoxyphenyl)-4-(2-thienyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-yl-2-pyridinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-cyano-6-(4-methoxyphenyl)-4-thiophen-2-ylpyridin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-cyano-6-(4-methoxyphenyl)-4-(2-thienyl)-2-pyridyl]thio]-N-piperonyl-acetamide Formula: C27H21N3O4S2 MolecularWeight: 515.60334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CS3)C#N)SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CS3)C#N)SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H21N3O4S2/c1-32-19-7-5-18(6-8-19)22-12-20(25-3-2-10-35-25)21(13-28)27(30-22)36-15-26(31)29-14-17-4-9-23-24(11-17)34-16-33-23/h2-12H,14-16H2,1H3,(H,29,31)