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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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