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

Systemtic Name: 5-bromanyl-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-2-isobutoxy-benzamide CAS Name: 5-bromo-N-[[3-[diethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-N-[[3-(diethylcarbamoyl)phenyl]thiocarbamoyl]-2-isobutoxy-benzamide Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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