N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C13H16ClN3O3S MolecularWeight: 329.80244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)C(C)(C)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)C(C)(C)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H16ClN3O3S/c1-7-5-10(17(19)20)8(14)6-9(7)15-12(21)16-11(18)13(2,3)4/h5-6H,1-4H3,(H2,15,16,18,21)