2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]-1-(4-pyridin-3-ylcarbonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: 2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]-1-(4-pyridin-3-ylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: 2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: 2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: 1-(4-nicotinoylpiperazino)-2-[3-nitro-4-(o-cumenylthio)phenyl]prop-2-en-1-one Formula: C28H28N4O4S MolecularWeight: 516.61132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(CC3)C(=O)C4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(CC3)C(=O)C4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H28N4O4S/c1-19(2)23-8-4-5-9-25(23)37-26-11-10-21(17-24(26)32(35)36)20(3)27(33)30-13-15-31(16-14-30)28(34)22-7-6-12-29-18-22/h4-12,17-19H,3,13-16H2,1-2H3