2-[4-(2,4-dimethylphenyl)sulfanyl-3-nitro-phenyl]-1-(2-ethanoylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: 2-[4-(2,4-dimethylphenyl)sulfanyl-3-nitro-phenyl]-1-(2-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 1-(2-acetylpiperazin-1-yl)-2-[4-(2,4-dimethylphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-(2-acetyl-1-piperazinyl)-2-[4-[(2,4-dimethylphenyl)thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: 1-(2-acetylpiperazin-1-yl)-2-[4-(2,4-dimethylphenyl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: 1-(2-acetylpiperazino)-2-[4-[(2,4-dimethylphenyl)thio]-3-nitro-phenyl]prop-2-en-1-one Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)C(=C)C(=O)N3CCNCC3C(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)C(=C)C(=O)N3CCNCC3C(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C23H25N3O4S/c1-14-5-7-21(15(2)11-14)31-22-8-6-18(12-19(22)26(29)30)16(3)23(28)25-10-9-24-13-20(25)17(4)27/h5-8,11-12,20,24H,3,9-10,13H2,1-2,4H3