2-(4-chloranyl-2-methyl-phenoxy)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]acetamide Formula: C16H14ClN3O5S MolecularWeight: 395.81746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O5S/c1-9-6-10(17)2-5-14(9)25-8-15(22)19-16(26)18-12-7-11(20(23)24)3-4-13(12)21/h2-7,21H,8H2,1H3,(H2,18,19,22,26)