3-bromanyl-N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[3-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[[3-(tert-butylcarbamoyl)phenyl]thiocarbamoyl]-4-isobutoxy-benzamide Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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