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

Systemtic Name: 3,4,5-trimethoxy-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C17H17N3O7S MolecularWeight: 407.39778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H17N3O7S/c1-25-13-6-9(7-14(26-2)15(13)27-3)16(22)19-17(28)18-11-8-10(20(23)24)4-5-12(11)21/h4-8,21H,1-3H3,(H2,18,19,22,28)