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

Systemtic Name: 2-[4-(4-bromanyl-2-ethyl-phenyl)sulfanyl-3-nitro-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(4-bromo-2-ethyl-phenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[4-[(4-bromo-2-ethylphenyl)thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(4-bromo-2-ethylphenyl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[4-[(4-bromo-2-ethyl-phenyl)thio]-3-nitro-phenyl]prop-2-en-1-one Formula: C23H24BrN3O4S MolecularWeight: 518.42336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H24BrN3O4S/c1-4-17-13-19(24)6-8-21(17)32-22-7-5-18(14-20(22)27(30)31)15(2)23(29)26-11-9-25(10-12-26)16(3)28/h5-8,13-14H,2,4,9-12H2,1,3H3