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

Systemtic Name: N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[(3-chloro-2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(3-chloro-2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C17H16ClN3O7S MolecularWeight: 441.84284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC(=CC(=C2O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O7S/c1-26-12-4-8(5-13(27-2)15(12)28-3)16(23)20-17(29)19-11-7-9(21(24)25)6-10(18)14(11)22/h4-7,22H,1-3H3,(H2,19,20,23,29)