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

Systemtic Name: N-[2-[1-(phenylmethyl)piperidin-4-yl]ethylcarbamothioyl]-4-(trifluoromethyl)benzamide Openeye Name: N-[2-(1-benzyl-4-piperidyl)ethylcarbamothioyl]-4-(trifluoromethyl)benzamide CAS Name: N-[[2-[1-(phenylmethyl)-4-piperidinyl]ethylamino]-sulfanylidenemethyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[2-(1-benzylpiperidin-4-yl)ethylcarbamothioyl]-4-(trifluoromethyl)benzamide Traditional Name: N-[2-(1-benzyl-4-piperidyl)ethylthiocarbamoyl]-4-(trifluoromethyl)benzamide Formula: C23H26F3N3OS MolecularWeight: 449.53225

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCNC(=S)NC(=O)C2=CC=C(C=C2)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1CCNC(=S)NC(=O)C2=CC=C(C=C2)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C23H26F3N3OS/c24-23(25,26)20-8-6-19(7-9-20)21(30)28-22(31)27-13-10-17-11-14-29(15-12-17)16-18-4-2-1-3-5-18/h1-9,17H,10-16H2,(H2,27,28,30,31)