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

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-(4-mercapto-3-nitrophenyl)-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-(3-nitro-4-sulfanylphenyl)prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-(4-mercapto-3-nitro-phenyl)prop-2-en-1-one Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4S/c1-10(12-3-4-14(23)13(9-12)18(21)22)15(20)17-7-5-16(6-8-17)11(2)19/h3-4,9,23H,1,5-8H2,2H3