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

Systemtic Name: 3,5-bis(chloranyl)-4-methoxy-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]benzamide Openeye Name: 3,5-dichloro-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3,5-dichloro-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3,5-dichloro-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3,5-dichloro-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C15H11Cl2N3O5S MolecularWeight: 416.23594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)Cl

InChI

InChI=1S/C15H11Cl2N3O5S/c1-25-13-9(16)4-7(5-10(13)17)14(22)19-15(26)18-11-6-8(20(23)24)2-3-12(11)21/h2-6,21H,1H3,(H2,18,19,22,26)