3-bromanyl-N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C19H19BrClN3O3S MolecularWeight: 484.79446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrClN3O3S/c1-3-17(25)22-12-6-7-14(21)15(10-12)23-19(28)24-18(26)11-5-8-16(27-4-2)13(20)9-11/h5-10H,3-4H2,1-2H3,(H,22,25)(H2,23,24,26,28)