N-(phenylmethyl)-4-[6-(trifluoromethyloxy)quinolin-4-yl]piperazine-1-carbothioamide

Systemtic Name: N-(phenylmethyl)-4-[6-(trifluoromethyloxy)quinolin-4-yl]piperazine-1-carbothioamide Openeye Name: N-benzyl-4-[6-(trifluoromethoxy)-4-quinolyl]piperazine-1-carbothioamide CAS Name: N-(phenylmethyl)-4-[6-(trifluoromethoxy)-4-quinolinyl]-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-[6-(trifluoromethoxy)quinolin-4-yl]piperazine-1-carbothioamide Traditional Name: N-benzyl-4-[6-(trifluoromethoxy)-4-quinolyl]piperazine-1-carbothioamide Formula: C22H21F3N4OS MolecularWeight: 446.48855

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=C(C=CC3=NC=C2)OC(F)(F)F)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C3C=C(C=CC3=NC=C2)OC(F)(F)F)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C22H21F3N4OS/c23-22(24,25)30-17-6-7-19-18(14-17)20(8-9-26-19)28-10-12-29(13-11-28)21(31)27-15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,27,31)