1-(4-ethanoyl-3-methyl-piperazin-1-yl)-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one

Systemtic Name: 1-(4-ethanoyl-3-methyl-piperazin-1-yl)-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one Openeye Name: 1-(4-acetyl-3-methyl-piperazin-1-yl)-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one CAS Name: 1-(4-acetyl-3-methyl-1-piperazinyl)-2-(4-mercapto-3-nitrophenyl)-2-propen-1-one IUPAC Name: 1-(4-acetyl-3-methylpiperazin-1-yl)-2-(3-nitro-4-sulfanylphenyl)prop-2-en-1-one Traditional Name: 1-(4-acetyl-3-methyl-piperazino)-2-(4-mercapto-3-nitro-phenyl)prop-2-en-1-one Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CCN1C(=O)C)C(=O)C(=C)C2=CC(=C(C=C2)S)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-10-9-17(6-7-18(10)12(3)20)16(21)11(2)13-4-5-15(24)14(8-13)19(22)23/h4-5,8,10,24H,2,6-7,9H2,1,3H3