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

Systemtic Name: 4-[2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[4-(2-methyl-2-phenyl-propanoyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[4-(2-methyl-1-oxo-2-phenylpropyl)-1-piperazinyl]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[4-(2-methyl-2-phenyl-propanoyl)piperazino]ethyl]thio]-3-nitro-benzamide Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O5S/c1-23(2,17-6-4-3-5-7-17)22(30)26-12-10-25(11-13-26)20(28)15-33-19-9-8-16(21(24)29)14-18(19)27(31)32/h3-9,14H,10-13,15H2,1-2H3,(H2,24,29)