6-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 6-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 6-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-pyridine-3-carboxamide CAS Name: 6-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl]thio]-5-cyano-2-methyl-N-phenyl-3-pyridinecarboxamide IUPAC Name: 6-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide Traditional Name: 5-cyano-6-[[2-[ethyl(piperonyl)amino]-2-keto-ethyl]thio]-2-methyl-N-phenyl-nicotinamide Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC(=C(C=C3C#N)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC(=C(C=C3C#N)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C26H24N4O4S/c1-3-30(14-18-9-10-22-23(11-18)34-16-33-22)24(31)15-35-26-19(13-27)12-21(17(2)28-26)25(32)29-20-7-5-4-6-8-20/h4-12H,3,14-16H2,1-2H3,(H,29,32)