2-pentoxy-N-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 2-pentoxy-N-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 2-pentoxy-N-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[oxo-[3-(trifluoromethyl)anilino]methyl]anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: 2-pentoxy-N-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 2-amoxy-N-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiocarbamoyl]benzamide Formula: C27H26F3N3O3S MolecularWeight: 529.57385

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C27H26F3N3O3S/c1-2-3-6-16-36-23-11-5-4-10-22(23)25(35)33-26(37)32-20-14-12-18(13-15-20)24(34)31-21-9-7-8-19(17-21)27(28,29)30/h4-5,7-15,17H,2-3,6,16H2,1H3,(H,31,34)(H2,32,33,35,37)