N-[[4-[(2-chlorophenyl)carbonylamino]-3-methoxy-phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[4-[(2-chlorophenyl)carbonylamino]-3-methoxy-phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[4-[(2-chlorobenzoyl)amino]-3-methoxy-phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[4-[[(2-chlorophenyl)-oxomethyl]amino]-3-methoxyanilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[4-[(2-chlorobenzoyl)amino]-3-methoxy-phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C22H16ClN5O3S2 MolecularWeight: 497.97714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H16ClN5O3S2/c1-31-19-11-13(7-9-17(19)25-21(30)14-4-2-3-5-15(14)23)24-22(32)26-20(29)12-6-8-16-18(10-12)28-33-27-16/h2-11H,1H3,(H,25,30)(H2,24,26,29,32)