N-[[4-chloranyl-2-(phenylcarbonyl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[4-chloranyl-2-(phenylcarbonyl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[(2-benzoyl-4-chloro-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[(2-benzoyl-4-chloroanilino)-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[(2-benzoyl-4-chlorophenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[(2-benzoyl-4-chloro-phenyl)thiocarbamoyl]piazthiole-5-carboxamide Formula: C21H13ClN4O2S2 MolecularWeight: 452.93652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3

InChI

InChI=1S/C21H13ClN4O2S2/c22-14-7-9-16(15(11-14)19(27)12-4-2-1-3-5-12)23-21(29)24-20(28)13-6-8-17-18(10-13)26-30-25-17/h1-11H,(H2,23,24,28,29)