3-nitro-4-[2-oxidanylidene-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[[2-(1-piperidylmethyl)phenyl]methylamino]ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[[2-(1-piperidinylmethyl)phenyl]methylamino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[[2-(piperidinomethyl)benzyl]amino]ethyl]thio]-3-nitro-benzamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=CC=C2CNC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC2=CC=CC=C2CNC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4S/c23-22(28)16-8-9-20(19(12-16)26(29)30)31-15-21(27)24-13-17-6-2-3-7-18(17)14-25-10-4-1-5-11-25/h2-3,6-9,12H,1,4-5,10-11,13-15H2,(H2,23,28)(H,24,27)