N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzamide

Systemtic Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-nitro-benzamide CAS Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-nitrobenzamide Traditional Name: 2-(4-benzylpiperidino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-nitro-benzamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O3S/c1-2-21-25-26-23(32-21)24-22(29)19-15-18(28(30)31)8-9-20(19)27-12-10-17(11-13-27)14-16-6-4-3-5-7-16/h3-9,15,17H,2,10-14H2,1H3,(H,24,26,29)