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

Systemtic Name: 5-bromanyl-2-(2-methylpropoxy)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-isobutoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-(2-methylpropoxy)-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methylpropoxy)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-isobutoxy-N-[(3-propionamidophenyl)thiocarbamoyl]benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3S/c1-4-19(26)23-15-6-5-7-16(11-15)24-21(29)25-20(27)17-10-14(22)8-9-18(17)28-12-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,23,26)(H2,24,25,27,29)