5-bromanyl-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-isobutoxy-benzamide CAS Name: 5-bromo-N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-2-isobutoxy-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]benzamide Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C

InChI

InChI=1S/C23H28BrN3O3S/c1-14(2)13-30-19-10-9-15(24)11-18(19)20(28)27-22(31)26-17-8-6-7-16(12-17)25-21(29)23(3,4)5/h6-12,14H,13H2,1-5H3,(H,25,29)(H2,26,27,28,31)