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

Systemtic Name: (E)-3-[4-(2-tert-butylphenyl)sulfanyl-3-nitro-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[4-(2-tert-butylphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: (E)-1-(4-acetyl-1-piperazinyl)-3-[4-[(2-tert-butylphenyl)thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-acetylpiperazin-1-yl)-3-[4-(2-tert-butylphenyl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: (E)-1-(4-acetylpiperazino)-3-[4-[(2-tert-butylphenyl)thio]-3-nitro-phenyl]prop-2-en-1-one Formula: C25H29N3O4S MolecularWeight: 467.58046

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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=C3C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)SC3=CC=CC=C3C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O4S/c1-18(29)26-13-15-27(16-14-26)24(30)12-10-19-9-11-23(21(17-19)28(31)32)33-22-8-6-5-7-20(22)25(2,3)4/h5-12,17H,13-16H2,1-4H3/b12-10+