4-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(4-isobutyrylpiperazino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O5S/c1-11(2)17(24)20-7-5-19(6-8-20)15(22)10-27-14-4-3-12(16(18)23)9-13(14)21(25)26/h3-4,9,11H,5-8,10H2,1-2H3,(H2,18,23)