3-bromanyl-N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-4-isobutoxy-N-[[3-(2-methylallyloxy)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[3-(2-methylprop-2-enoxy)anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[3-(2-methylprop-2-enoxy)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-4-isobutoxy-N-[[3-(2-methylallyloxy)phenyl]thiocarbamoyl]benzamide Formula: C22H25BrN2O3S MolecularWeight: 477.4145

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC(=C)C)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC(=C)C)Br

InChI

InChI=1S/C22H25BrN2O3S/c1-14(2)12-27-18-7-5-6-17(11-18)24-22(29)25-21(26)16-8-9-20(19(23)10-16)28-13-15(3)4/h5-11,15H,1,12-13H2,2-4H3,(H2,24,25,26,29)