N-(1-oxidanylidenepentan-2-yl)-4-[[7-(trifluoromethyl)quinolin-4-yl]sulfanylmethyl]benzamide

Systemtic Name: N-(1-oxidanylidenepentan-2-yl)-4-[[7-(trifluoromethyl)quinolin-4-yl]sulfanylmethyl]benzamide Openeye Name: N-(1-formylbutyl)-4-[[7-(trifluoromethyl)-4-quinolyl]sulfanylmethyl]benzamide CAS Name: N-(1-oxopentan-2-yl)-4-[[[7-(trifluoromethyl)-4-quinolinyl]thio]methyl]benzamide IUPAC Name: N-(1-oxopentan-2-yl)-4-[[7-(trifluoromethyl)quinolin-4-yl]sulfanylmethyl]benzamide Traditional Name: N-(1-formylbutyl)-4-[[[7-(trifluoromethyl)-4-quinolyl]thio]methyl]benzamide Formula: C23H21F3N2O2S MolecularWeight: 446.48525

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C=O)NC(=O)C1=CC=C(C=C1)CSC2=C3C=CC(=CC3=NC=C2)C(F)(F)F

Isomeric SMILES

CCCC(C=O)NC(=O)C1=CC=C(C=C1)CSC2=C3C=CC(=CC3=NC=C2)C(F)(F)F

InChI

InChI=1S/C23H21F3N2O2S/c1-2-3-18(13-29)28-22(30)16-6-4-15(5-7-16)14-31-21-10-11-27-20-12-17(23(24,25)26)8-9-19(20)21/h4-13,18H,2-3,14H2,1H3,(H,28,30)