2-(3-methylphenoxy)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(3-methylphenoxy)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]ethanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-2-(3-methylphenoxy)acetamide Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

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