5-bromanyl-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2-ethoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-2-ethoxy-benzamide CAS Name: 5-bromo-N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: 5-bromo-N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2-ethoxybenzamide Traditional Name: 5-bromo-N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-2-ethoxy-benzamide Formula: C20H21BrClN3O3S MolecularWeight: 498.82104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrClN3O3S/c1-3-5-18(26)23-13-7-8-15(22)16(11-13)24-20(29)25-19(27)14-10-12(21)6-9-17(14)28-4-2/h6-11H,3-5H2,1-2H3,(H,23,26)(H2,24,25,27,29)