N-[2-(thian-4-yl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[2-(thian-4-yl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-(2-tetrahydrothiopyran-4-yl-3,4-dihydro-1H-isoquinolin-7-yl)-4-(trifluoromethyl)benzamide CAS Name: N-[2-(4-thianyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[2-(thian-4-yl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-(2-tetrahydrothiopyran-4-yl-3,4-dihydro-1H-isoquinolin-7-yl)-4-(trifluoromethyl)benzamide Formula: C22H23F3N2OS MolecularWeight: 420.49103

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CSCCC1N2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H23F3N2OS/c23-22(24,25)18-4-1-16(2-5-18)21(28)26-19-6-3-15-7-10-27(14-17(15)13-19)20-8-11-29-12-9-20/h1-6,13,20H,7-12,14H2,(H,26,28)