2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-6-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-6-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4-methyl-6-oxo-1H-pyridine-3-carbonitrile CAS Name: 2-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]thio]-4-methyl-6-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-6-oxo-1H-pyridine-3-carbonitrile Traditional Name: 6-keto-2-[[2-keto-2-(4-piperonylpiperazino)ethyl]thio]-4-methyl-1H-pyridine-3-carbonitrile Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC(=C1C#N)SCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=O)NC(=C1C#N)SCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O4S/c1-14-8-19(26)23-21(16(14)10-22)30-12-20(27)25-6-4-24(5-7-25)11-15-2-3-17-18(9-15)29-13-28-17/h2-3,8-9H,4-7,11-13H2,1H3,(H,23,26)