3-bromanyl-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[3-[diethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[3-(diethylcarbamoyl)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[3-(diethylcarbamoyl)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O3S/c1-4-25(5-2)20(27)15-8-7-9-16(12-15)23-21(29)24-19(26)14-10-11-18(28-6-3)17(22)13-14/h7-13H,4-6H2,1-3H3,(H2,23,24,26,29)