2-[2,4-bis(chloranyl)phenoxy]-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(2,4-dichlorophenoxy)-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]acetamide CAS Name: 2-(2,4-dichlorophenoxy)-N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[(2-methyl-4-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(2,4-dichlorophenoxy)-N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]acetamide Formula: C16H13Cl2N3O4S MolecularWeight: 414.26312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)COC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC(=O)COC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H13Cl2N3O4S/c1-9-6-11(21(23)24)3-4-13(9)19-16(26)20-15(22)8-25-14-5-2-10(17)7-12(14)18/h2-7H,8H2,1H3,(H2,19,20,22,26)