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

Systemtic Name: 5-bromanyl-2-hexoxy-N-[[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-hexoxy-N-[[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-hexoxy-N-[[3-[oxo-[3-(trifluoromethyl)anilino]methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-hexoxy-N-[[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-hexoxy-N-[[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiocarbamoyl]benzamide Formula: C28H27BrF3N3O3S MolecularWeight: 622.49649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C28H27BrF3N3O3S/c1-2-3-4-5-14-38-24-13-12-20(29)17-23(24)26(37)35-27(39)34-21-10-6-8-18(15-21)25(36)33-22-11-7-9-19(16-22)28(30,31)32/h6-13,15-17H,2-5,14H2,1H3,(H,33,36)(H2,34,35,37,39)