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

Systemtic Name: 2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]-1-(2-pyridin-4-ylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]-1-[2-(pyridine-4-carbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: 2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-[2-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: 2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]-1-[2-(pyridine-4-carbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: 1-(2-isonicotinoylpiperazino)-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)N3CCNCC3C(=O)C4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCNCC3C(=O)C4=CC=NC=C4)[N+](=O)[O-]

InChI

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