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

Systemtic Name: 2-[4-[2-(dimethylamino)phenyl]sulfanyl-3-nitro-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-[2-(dimethylamino)phenyl]sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[4-[[2-(dimethylamino)phenyl]thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-[2-(dimethylamino)phenyl]sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[4-[[2-(dimethylamino)phenyl]thio]-3-nitro-phenyl]prop-2-en-1-one Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O4S/c1-16(23(29)26-13-11-25(12-14-26)17(2)28)18-9-10-22(20(15-18)27(30)31)32-21-8-6-5-7-19(21)24(3)4/h5-10,15H,1,11-14H2,2-4H3