2-(4-methoxyphenyl)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-methoxyphenyl)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]ethanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-2-(4-methoxyphenyl)acetamide Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H15N3O5S/c1-24-12-5-2-10(3-6-12)8-15(21)18-16(25)17-13-9-11(19(22)23)4-7-14(13)20/h2-7,9,20H,8H2,1H3,(H2,17,18,21,25)