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

Systemtic Name: (E)-3-[3-nitro-4-(4-propan-2-ylphenyl)sulfanyl-phenyl]-1-(4-pyridin-3-ylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[4-(4-isopropylphenyl)sulfanyl-3-nitro-phenyl]-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-[3-nitro-4-[(4-propan-2-ylphenyl)thio]phenyl]-1-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[3-nitro-4-(4-propan-2-ylphenyl)sulfanylphenyl]-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-1-(4-nicotinoylpiperazino)-3-[3-nitro-4-(p-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=C(C=C1)SC2=C(C=C(C=C2)C=CC(=O)N3CCN(CC3)C(=O)C4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=C/C(=O)N3CCN(CC3)C(=O)C4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H28N4O4S/c1-20(2)22-7-9-24(10-8-22)37-26-11-5-21(18-25(26)32(35)36)6-12-27(33)30-14-16-31(17-15-30)28(34)23-4-3-13-29-19-23/h3-13,18-20H,14-17H2,1-2H3/b12-6+