N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]piazthiole-5-carboxamide Formula: C17H14ClN5O2S2 MolecularWeight: 419.90836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2

InChI

InChI=1S/C17H14ClN5O2S2/c1-2-15(24)19-10-4-5-11(18)13(8-10)20-17(26)21-16(25)9-3-6-12-14(7-9)23-27-22-12/h3-8H,2H2,1H3,(H,19,24)(H2,20,21,25,26)