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

Systemtic Name: 5-bromanyl-2-methoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[(3-propionamidophenyl)thiocarbamoyl]benzamide Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O3S/c1-3-16(23)20-12-5-4-6-13(10-12)21-18(26)22-17(24)14-9-11(19)7-8-15(14)25-2/h4-10H,3H2,1-2H3,(H,20,23)(H2,21,22,24,26)