4-[(3-methyl-1-benzothiophen-2-yl)methyl]-N-[6-(trifluoromethyl)pyridin-3-yl]piperazine-1-carboxamide

Systemtic Name: 4-[(3-methyl-1-benzothiophen-2-yl)methyl]-N-[6-(trifluoromethyl)pyridin-3-yl]piperazine-1-carboxamide Openeye Name: 4-[(3-methylbenzothiophen-2-yl)methyl]-N-[6-(trifluoromethyl)-3-pyridyl]piperazine-1-carboxamide CAS Name: 4-[(3-methyl-1-benzothiophen-2-yl)methyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1-piperazinecarboxamide IUPAC Name: 4-[(3-methyl-1-benzothiophen-2-yl)methyl]-N-[6-(trifluoromethyl)pyridin-3-yl]piperazine-1-carboxamide Traditional Name: 4-[(3-methylbenzothiophen-2-yl)methyl]-N-[6-(trifluoromethyl)-3-pyridyl]piperazine-1-carboxamide Formula: C21H21F3N4OS MolecularWeight: 434.47785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CN3CCN(CC3)C(=O)NC4=CN=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CN3CCN(CC3)C(=O)NC4=CN=C(C=C4)C(F)(F)F

InChI

InChI=1S/C21H21F3N4OS/c1-14-16-4-2-3-5-17(16)30-18(14)13-27-8-10-28(11-9-27)20(29)26-15-6-7-19(25-12-15)21(22,23)24/h2-7,12H,8-11,13H2,1H3,(H,26,29)