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

Systemtic Name: 1-(4-ethanoyl-3-methyl-piperazin-1-yl)-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-en-1-one Openeye Name: 1-(4-acetyl-3-methyl-piperazin-1-yl)-2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-3-methyl-1-piperazinyl)-2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-2-propen-1-one IUPAC Name: 1-(4-acetyl-3-methylpiperazin-1-yl)-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one Traditional Name: 1-(4-acetyl-3-methyl-piperazino)-2-[3-nitro-4-(o-cumenylthio)phenyl]prop-2-en-1-one Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CCN1C(=O)C)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O4S/c1-16(2)21-8-6-7-9-23(21)33-24-11-10-20(14-22(24)28(31)32)18(4)25(30)26-12-13-27(19(5)29)17(3)15-26/h6-11,14,16-17H,4,12-13,15H2,1-3,5H3