5-bromanyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[3-(isobutyrylamino)phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)C

InChI

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