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

Systemtic Name: 2-(3-nitro-4-sulfanyl-phenyl)-1-(4-propanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 2-(3-nitro-4-sulfanyl-phenyl)-1-(4-propanoylpiperazin-1-yl)prop-2-en-1-one CAS Name: 2-(4-mercapto-3-nitrophenyl)-1-[4-(1-oxopropyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: 2-(3-nitro-4-sulfanylphenyl)-1-(4-propanoylpiperazin-1-yl)prop-2-en-1-one Traditional Name: 2-(4-mercapto-3-nitro-phenyl)-1-(4-propionylpiperazino)prop-2-en-1-one Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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