5-bromanyl-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-2-isobutoxy-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-2-isobutoxy-N-[(2-methyl-3-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C)C

Isomeric SMILES

CCC(=O)NC1=C(C(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C)C

InChI

InChI=1S/C22H26BrN3O3S/c1-5-20(27)24-17-7-6-8-18(14(17)4)25-22(30)26-21(28)16-11-15(23)9-10-19(16)29-12-13(2)3/h6-11,13H,5,12H2,1-4H3,(H,24,27)(H2,25,26,28,30)