N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[(3-chloro-2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[(3-chloro-2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C16H14ClN3O6S MolecularWeight: 411.81686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C16H14ClN3O6S/c1-25-12-4-3-8(5-13(12)26-2)15(22)19-16(27)18-11-7-9(20(23)24)6-10(17)14(11)21/h3-7,21H,1-2H3,(H2,18,19,22,27)