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

Systemtic Name: 2-azanyl-6-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-N-phenyl-pyridine-3-carboxamide Openeye Name: 2-amino-6-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxo-ethyl]sulfanyl-5-cyano-N-phenyl-pyridine-3-carboxamide CAS Name: 2-amino-6-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl]thio]-5-cyano-N-phenyl-3-pyridinecarboxamide IUPAC Name: 2-amino-6-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl]sulfanyl-5-cyano-N-phenylpyridine-3-carboxamide Traditional Name: 2-amino-5-cyano-6-[[2-[ethyl(piperonyl)amino]-2-keto-ethyl]thio]-N-phenyl-nicotinamide Formula: C25H23N5O4S MolecularWeight: 489.54622

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C25H23N5O4S/c1-2-30(13-16-8-9-20-21(10-16)34-15-33-20)22(31)14-35-25-17(12-26)11-19(23(27)29-25)24(32)28-18-6-4-3-5-7-18/h3-11H,2,13-15H2,1H3,(H2,27,29)(H,28,32)