1-(4-ethanoyl-3,5-dimethyl-piperazin-1-yl)-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-en-1-one

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-piperazin-1-yl)-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-en-1-one Openeye Name: 1-(4-acetyl-3,5-dimethyl-piperazin-1-yl)-2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-3,5-dimethyl-1-piperazinyl)-2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-2-propen-1-one IUPAC Name: 1-(4-acetyl-3,5-dimethylpiperazin-1-yl)-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one Traditional Name: 1-(4-acetyl-3,5-dimethyl-piperazino)-2-[3-nitro-4-(o-cumenylthio)phenyl]prop-2-en-1-one Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)C)C)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(N1C(=O)C)C)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H31N3O4S/c1-16(2)22-9-7-8-10-24(22)34-25-12-11-21(13-23(25)29(32)33)19(5)26(31)27-14-17(3)28(20(6)30)18(4)15-27/h7-13,16-18H,5,14-15H2,1-4,6H3