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

Systemtic Name: 2-hexoxy-N-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 2-hexoxy-N-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide CAS Name: 2-hexoxy-N-[[4-[oxo-[3-(trifluoromethyl)anilino]methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-hexoxy-N-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 2-hexoxy-N-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiocarbamoyl]benzamide Formula: C28H28F3N3O3S MolecularWeight: 543.60043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C28H28F3N3O3S/c1-2-3-4-7-17-37-24-12-6-5-11-23(24)26(36)34-27(38)33-21-15-13-19(14-16-21)25(35)32-22-10-8-9-20(18-22)28(29,30)31/h5-6,8-16,18H,2-4,7,17H2,1H3,(H,32,35)(H2,33,34,36,38)