5-bromanyl-2-butoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[3-(2-methylallyloxy)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[3-(2-methylprop-2-enoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[3-(2-methylallyloxy)phenyl]thiocarbamoyl]benzamide Formula: C22H25BrN2O3S MolecularWeight: 477.4145

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCC(=C)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCC(=C)C

InChI

InChI=1S/C22H25BrN2O3S/c1-4-5-11-27-20-10-9-16(23)12-19(20)21(26)25-22(29)24-17-7-6-8-18(13-17)28-14-15(2)3/h6-10,12-13H,2,4-5,11,14H2,1,3H3,(H2,24,25,26,29)