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

Systemtic Name: 5-bromanyl-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[(2-methyl-3-propionamido-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(=C2C)NC(=O)CC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)CC

InChI

InChI=1S/C21H24BrN3O3S/c1-4-11-28-18-10-9-14(22)12-15(18)20(27)25-21(29)24-17-8-6-7-16(13(17)3)23-19(26)5-2/h6-10,12H,4-5,11H2,1-3H3,(H,23,26)(H2,24,25,27,29)