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

Systemtic Name: N-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[(3-chloro-2-hydroxy-5-nitro-phenyl)carbamothioyl]-4-methoxy-benzamide CAS Name: N-[(3-chloro-2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[(3-chloro-2-hydroxy-5-nitrophenyl)carbamothioyl]-4-methoxybenzamide Traditional Name: N-[(3-chloro-2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C15H12ClN3O5S MolecularWeight: 381.79088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN3O5S/c1-24-10-4-2-8(3-5-10)14(21)18-15(25)17-12-7-9(19(22)23)6-11(16)13(12)20/h2-7,20H,1H3,(H2,17,18,21,25)