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

Systemtic Name: 2,2-dimethyl-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]propanamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C12H15N3O4S MolecularWeight: 297.3302

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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-])O

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4S/c1-12(2,3)10(17)14-11(20)13-8-6-7(15(18)19)4-5-9(8)16/h4-6,16H,1-3H3,(H2,13,14,17,20)