2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-6-methyl-pyridine-3-carboxamide

Systemtic Name: 2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-6-methyl-pyridine-3-carboxamide Openeye Name: 2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-6-methyl-pyridine-3-carboxamide CAS Name: 2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]ethylthio]-6-methyl-3-pyridinecarboxamide IUPAC Name: 2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethylsulfanyl]-6-methylpyridine-3-carboxamide Traditional Name: 2-[2-[4-(8-cyano-2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]ethylthio]-6-methyl-nicotinamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)N)SCCN2CCN(CC2)C3=C4C(=C(C=C3)C#N)OCCO4

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)N)SCCN2CCN(CC2)C3=C4C(=C(C=C3)C#N)OCCO4

InChI

InChI=1S/C22H25N5O3S/c1-15-2-4-17(21(24)28)22(25-15)31-13-10-26-6-8-27(9-7-26)18-5-3-16(14-23)19-20(18)30-12-11-29-19/h2-5H,6-13H2,1H3,(H2,24,28)