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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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