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

Systemtic Name: 5-bromanyl-N-[[4-(butylcarbamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-N-[[4-(butylcarbamoyl)phenyl]carbamothioyl]-2-isobutoxy-benzamide CAS Name: 5-bromo-N-[[4-[butylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[[4-(butylcarbamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-N-[[4-(butylcarbamoyl)phenyl]thiocarbamoyl]-2-isobutoxy-benzamide Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C

InChI

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