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

Systemtic Name: 2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]-1-[4-(2-oxidanylethanoyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: 1-[4-(2-hydroxyacetyl)piperazin-1-yl]-2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-[4-(2-hydroxy-1-oxoethyl)-1-piperazinyl]-2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-2-propen-1-one IUPAC Name: 1-[4-(2-hydroxyacetyl)piperazin-1-yl]-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one Traditional Name: 1-(4-glycoloylpiperazino)-2-[3-nitro-4-(o-cumenylthio)phenyl]prop-2-en-1-one Formula: C24H27N3O5S MolecularWeight: 469.55328

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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)CO)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O5S/c1-16(2)19-6-4-5-7-21(19)33-22-9-8-18(14-20(22)27(31)32)17(3)24(30)26-12-10-25(11-13-26)23(29)15-28/h4-9,14,16,28H,3,10-13,15H2,1-2H3