(E)-1-(4-ethanoylpiperazin-1-yl)-3-[4-(1-methylindol-5-yl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-ethanoylpiperazin-1-yl)-3-[4-(1-methylindol-5-yl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one Openeye Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[4-(1-methylindol-5-yl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: (E)-1-(4-acetyl-1-piperazinyl)-3-[4-[(1-methyl-5-indolyl)thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[4-(1-methylindol-5-yl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: (E)-1-(4-acetylpiperazino)-3-[4-[(1-methylindol-5-yl)thio]-3-nitro-phenyl]prop-2-en-1-one Formula: C24H24N4O4S MolecularWeight: 464.53676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)SC3=CC4=C(C=C3)N(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)SC3=CC4=C(C=C3)N(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O4S/c1-17(29)26-11-13-27(14-12-26)24(30)8-4-18-3-7-23(22(15-18)28(31)32)33-20-5-6-21-19(16-20)9-10-25(21)2/h3-10,15-16H,11-14H2,1-2H3/b8-4+