3-bromanyl-4-(2-methylpropoxy)-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(2-methylpropoxy)-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(allylcarbamoyl)phenyl]carbamothioyl]-3-bromo-4-isobutoxy-benzamide CAS Name: 3-bromo-4-(2-methylpropoxy)-N-[[2-[oxo-(prop-2-enylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methylpropoxy)-N-[[2-(prop-2-enylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[2-(allylcarbamoyl)phenyl]thiocarbamoyl]-3-bromo-4-isobutoxy-benzamide Formula: C22H24BrN3O3S MolecularWeight: 490.41326

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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=C2C(=O)NCC=C)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC=C)Br

InChI

InChI=1S/C22H24BrN3O3S/c1-4-11-24-21(28)16-7-5-6-8-18(16)25-22(30)26-20(27)15-9-10-19(17(23)12-15)29-13-14(2)3/h4-10,12,14H,1,11,13H2,2-3H3,(H,24,28)(H2,25,26,27,30)