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

Systemtic Name: 3-nitro-N-[[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]benzamide Openeye Name: N-[[1-(3-benzyl-1,2,4-thiadiazol-5-yl)-4-piperidyl]methyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-4-piperidinyl]methyl]benzamide IUPAC Name: N-[[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-3-nitrobenzamide Traditional Name: N-[[1-(3-benzyl-1,2,4-thiadiazol-5-yl)-4-piperidyl]methyl]-3-nitro-benzamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O3S/c28-21(18-7-4-8-19(14-18)27(29)30)23-15-17-9-11-26(12-10-17)22-24-20(25-31-22)13-16-5-2-1-3-6-16/h1-8,14,17H,9-13,15H2,(H,23,28)