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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O2S/c1-11(2)16(23)20-14-6-8-15(9-7-14)21-18(25)22-17(24)12-4-3-5-13(19)10-12/h3-11H,1-2H3,(H,20,23)(H2,21,22,24,25)