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

Systemtic Name: N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[(4-methoxy-3-nitroanilino)-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[(4-methoxy-3-nitrophenyl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[(4-methoxy-3-nitro-phenyl)thiocarbamoyl]piazthiole-5-carboxamide Formula: C15H11N5O4S2 MolecularWeight: 389.40894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H11N5O4S2/c1-24-13-5-3-9(7-12(13)20(22)23)16-15(25)17-14(21)8-2-4-10-11(6-8)19-26-18-10/h2-7H,1H3,(H2,16,17,21,25)