2-morpholin-4-ylcarbothioyl-3-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one

Systemtic Name: 2-morpholin-4-ylcarbothioyl-3-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one Openeye Name: 2-(morpholine-4-carbothioyl)-3-[5-[[7-(trifluoromethyl)-4-quinolyl]sulfanyl]pentoxy]pyran-4-one CAS Name: 2-[4-morpholinyl(sulfanylidene)methyl]-3-[5-[[7-(trifluoromethyl)-4-quinolinyl]thio]pentoxy]-4-pyranone IUPAC Name: 2-(morpholine-4-carbothioyl)-3-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one Traditional Name: 2-(morpholine-4-carbothioyl)-3-[5-[[7-(trifluoromethyl)-4-quinolyl]thio]pentoxy]pyran-4-one Formula: C25H25F3N2O4S2 MolecularWeight: 538.60221

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)C2=C(C(=O)C=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

Isomeric SMILES

C1COCCN1C(=S)C2=C(C(=O)C=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

InChI

InChI=1S/C25H25F3N2O4S2/c26-25(27,28)17-4-5-18-19(16-17)29-8-6-21(18)36-15-3-1-2-11-33-22-20(31)7-12-34-23(22)24(35)30-9-13-32-14-10-30/h4-8,12,16H,1-3,9-11,13-15H2