2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone Openeye Name: 2-[2-methyl-4-(p-tolyl)thiazol-5-yl]-1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[2-methyl-4-(4-methylphenyl)-5-thiazolyl]-1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone Traditional Name: 2-[2-methyl-4-(p-tolyl)thiazol-5-yl]-1-[4-(6-nitro-3-pyridyl)piperazino]ethanone Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=N2)C)CC(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=N2)C)CC(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3S/c1-15-3-5-17(6-4-15)22-19(31-16(2)24-22)13-21(28)26-11-9-25(10-12-26)18-7-8-20(23-14-18)27(29)30/h3-8,14H,9-13H2,1-2H3