3-nitro-4-[2-oxidanylidene-2-(4-piperidin-1-ylcarbonylpiperazin-1-yl)ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-(4-piperidin-1-ylcarbonylpiperazin-1-yl)ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[4-(piperidine-1-carbonyl)piperazino]ethyl]thio]-3-nitro-benzamide Formula: C19H25N5O5S MolecularWeight: 435.4973

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)N2CCN(CC2)C(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O5S/c20-18(26)14-4-5-16(15(12-14)24(28)29)30-13-17(25)21-8-10-23(11-9-21)19(27)22-6-2-1-3-7-22/h4-5,12H,1-3,6-11,13H2,(H2,20,26)