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

Systemtic Name: 3-bromanyl-N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-4-ethoxy-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[3-(butanoylamino)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[(3-butyramidophenyl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)Br

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCC)Br

InChI

InChI=1S/C20H22BrN3O3S/c1-3-6-18(25)22-14-7-5-8-15(12-14)23-20(28)24-19(26)13-9-10-17(27-4-2)16(21)11-13/h5,7-12H,3-4,6H2,1-2H3,(H,22,25)(H2,23,24,26,28)