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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1SC2=C(C=C(C=C2)/C=C/C(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O4S/c1-3-19-6-4-5-7-21(19)31-22-10-8-18(16-20(22)26(29)30)9-11-23(28)25-14-12-24(13-15-25)17(2)27/h4-11,16H,3,12-15H2,1-2H3/b11-9+