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

Systemtic Name: 2-[4-(3,4-dimethylphenyl)sulfanyl-3-nitro-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(3,4-dimethylphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[4-[(3,4-dimethylphenyl)thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(3,4-dimethylphenyl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[4-[(3,4-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=C(C=C(C=C1)SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-])C

InChI

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