3,3-dimethyl-N-[(2-nitrophenyl)carbamothioyl]butanamide

Systemtic Name: 3,3-dimethyl-N-[(2-nitrophenyl)carbamothioyl]butanamide Openeye Name: 3,3-dimethyl-N-[(2-nitrophenyl)carbamothioyl]butanamide CAS Name: 3,3-dimethyl-N-[(2-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 3,3-dimethyl-N-[(2-nitrophenyl)carbamothioyl]butanamide Traditional Name: 3,3-dimethyl-N-[(2-nitrophenyl)thiocarbamoyl]butyramide Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3S/c1-13(2,3)8-11(17)15-12(20)14-9-6-4-5-7-10(9)16(18)19/h4-7H,8H2,1-3H3,(H2,14,15,17,20)