4,5,6-trimethyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: 4,5,6-trimethyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: 4,5,6-trimethyl-2-[2-[4-(m-tolyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: 4,5,6-trimethyl-2-[[2-[4-(3-methylphenyl)-1-piperazinyl]-2-oxoethyl]thio]-3-pyridinecarboxamide IUPAC Name: 4,5,6-trimethyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpyridine-3-carboxamide Traditional Name: 2-[[2-keto-2-[4-(m-tolyl)piperazino]ethyl]thio]-4,5,6-trimethyl-nicotinamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC(=C(C(=C3C(=O)N)C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC(=C(C(=C3C(=O)N)C)C)C

InChI

InChI=1S/C22H28N4O2S/c1-14-6-5-7-18(12-14)25-8-10-26(11-9-25)19(27)13-29-22-20(21(23)28)16(3)15(2)17(4)24-22/h5-7,12H,8-11,13H2,1-4H3,(H2,23,28)