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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)(C)C

InChI

InChI=1S/C23H28BrN3O3S/c1-5-6-12-30-19-11-10-15(24)13-18(19)20(28)27-22(31)26-17-9-7-8-16(14-17)25-21(29)23(2,3)4/h7-11,13-14H,5-6,12H2,1-4H3,(H,25,29)(H2,26,27,28,31)