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

Systemtic Name: N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-3-nitro-benzamide Openeye Name: N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-4-piperidyl]methyl]-3-nitro-benzamide CAS Name: N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-4-piperidinyl]methyl]-3-nitrobenzamide IUPAC Name: N-[[1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]-3-nitrobenzamide Traditional Name: N-[[1-[3-(4-fluorobenzyl)-1,2,4-thiadiazol-5-yl]-4-piperidyl]methyl]-3-nitro-benzamide Formula: C22H22FN5O3S MolecularWeight: 455.505183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=NC(=NS3)CC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=NC(=NS3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN5O3S/c23-18-6-4-15(5-7-18)12-20-25-22(32-26-20)27-10-8-16(9-11-27)14-24-21(29)17-2-1-3-19(13-17)28(30)31/h1-7,13,16H,8-12,14H2,(H,24,29)