2-bromanyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2Br)C

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC=C2Br)C

InChI

InChI=1S/C18H18BrN3O2S/c1-3-16(23)21-15-10-12(9-8-11(15)2)20-18(25)22-17(24)13-6-4-5-7-14(13)19/h4-10H,3H2,1-2H3,(H,21,23)(H2,20,22,24,25)