1-(4-ethanoylpiperazin-1-yl)-2-(4-nitrosulfanylphenyl)prop-2-en-1-one

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-(4-nitrosulfanylphenyl)prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-(4-nitrosulfanylphenyl)prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[4-(nitrothio)phenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-(4-nitrosulfanylphenyl)prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[4-(nitrothio)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/c1-11(13-3-5-14(6-4-13)23-18(21)22)15(20)17-9-7-16(8-10-17)12(2)19/h3-6H,1,7-10H2,2H3