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

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-(3-nitro-4-phenylsulfanyl-phenyl)prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-(3-nitro-4-phenylsulfanyl-phenyl)prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[3-nitro-4-(phenylthio)phenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-(3-nitro-4-phenylsulfanylphenyl)prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[3-nitro-4-(phenylthio)phenyl]prop-2-en-1-one Formula: C21H21N3O4S MolecularWeight: 411.47414

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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=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4S/c1-15(21(26)23-12-10-22(11-13-23)16(2)25)17-8-9-20(19(14-17)24(27)28)29-18-6-4-3-5-7-18/h3-9,14H,1,10-13H2,2H3