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

Systemtic Name: (E)-1-(4-ethanoylpiperazin-1-yl)-3-[4-(2-methoxyphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one Openeye Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[4-(2-methoxyphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: (E)-1-(4-acetyl-1-piperazinyl)-3-[4-[(2-methoxyphenyl)thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[4-(2-methoxyphenyl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: (E)-1-(4-acetylpiperazino)-3-[4-[(2-methoxyphenyl)thio]-3-nitro-phenyl]prop-2-en-1-one Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)SC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)SC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O5S/c1-16(26)23-11-13-24(14-12-23)22(27)10-8-17-7-9-20(18(15-17)25(28)29)31-21-6-4-3-5-19(21)30-2/h3-10,15H,11-14H2,1-2H3/b10-8+