N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[(4-methoxy-3-nitroanilino)-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[(4-methoxy-3-nitrophenyl)carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[(4-methoxy-3-nitro-phenyl)thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4S/c1-13(2,3)11(17)15-12(21)14-8-5-6-10(20-4)9(7-8)16(18)19/h5-7H,1-4H3,(H2,14,15,17,21)