3-bromanyl-4-hexoxy-N-[[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[2-[oxo-(phenethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[2-(phenethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[2-(phenethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C29H32BrN3O3S MolecularWeight: 582.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)Br

InChI

InChI=1S/C29H32BrN3O3S/c1-2-3-4-10-19-36-26-16-15-22(20-24(26)30)27(34)33-29(37)32-25-14-9-8-13-23(25)28(35)31-18-17-21-11-6-5-7-12-21/h5-9,11-16,20H,2-4,10,17-19H2,1H3,(H,31,35)(H2,32,33,34,37)