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

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[(2-chloro-5-nitro-phenyl)carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[(2-chloro-5-nitrophenyl)carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[(2-chloro-5-nitro-phenyl)thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C12H14ClN3O3S MolecularWeight: 315.77586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H14ClN3O3S/c1-12(2,3)10(17)15-11(20)14-9-6-7(16(18)19)4-5-8(9)13/h4-6H,1-3H3,(H2,14,15,17,20)