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

Systemtic Name: 5-bromanyl-2-methoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-N-[[3-(isobutyrylamino)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C19H20BrN3O3S MolecularWeight: 450.3494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O3S/c1-11(2)17(24)21-13-5-4-6-14(10-13)22-19(27)23-18(25)15-9-12(20)7-8-16(15)26-3/h4-11H,1-3H3,(H,21,24)(H2,22,23,25,27)