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

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

InChI

InChI=1S/C28H28N4O4S/c1-20(2)23-5-3-4-6-25(23)37-26-9-7-21(19-24(26)32(35)36)8-10-27(33)30-15-17-31(18-16-30)28(34)22-11-13-29-14-12-22/h3-14,19-20H,15-18H2,1-2H3/b10-8+