2-nitro-N-[2-[1-(phenylmethyl)piperidin-4-yl]ethylcarbamothioyl]benzamide

Systemtic Name: 2-nitro-N-[2-[1-(phenylmethyl)piperidin-4-yl]ethylcarbamothioyl]benzamide Openeye Name: N-[2-(1-benzyl-4-piperidyl)ethylcarbamothioyl]-2-nitro-benzamide CAS Name: 2-nitro-N-[[2-[1-(phenylmethyl)-4-piperidinyl]ethylamino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[2-(1-benzylpiperidin-4-yl)ethylcarbamothioyl]-2-nitrobenzamide Traditional Name: N-[2-(1-benzyl-4-piperidyl)ethylthiocarbamoyl]-2-nitro-benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1CCNC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O3S/c27-21(19-8-4-5-9-20(19)26(28)29)24-22(30)23-13-10-17-11-14-25(15-12-17)16-18-6-2-1-3-7-18/h1-9,17H,10-16H2,(H2,23,24,27,30)