(2S)-1-(4-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propan-1-one

Systemtic Name: (2S)-1-(4-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propan-1-one Openeye Name: (2S)-1-(4-methyl-1-piperidyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-propan-1-one CAS Name: (2S)-1-(4-methyl-1-piperidinyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]-1-propanone IUPAC Name: (2S)-1-(4-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropan-1-one Traditional Name: (2S)-1-(4-methylpiperidino)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]propan-1-one Formula: C18H20F3N3OS MolecularWeight: 383.43111

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C18H20F3N3OS/c1-11-7-9-24(10-8-11)16(25)12(2)26-15-13-5-3-4-6-14(13)22-17(23-15)18(19,20)21/h3-6,11-12H,7-10H2,1-2H3/t12-/m0/s1