N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-3,3-dimethyl-butanamide Openeye Name: N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-3,3-dimethyl-butanamide CAS Name: N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-3,3-dimethylbutanamide IUPAC Name: N-[(2-bromo-4-nitrophenyl)carbamothioyl]-3,3-dimethylbutanamide Traditional Name: N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-3,3-dimethyl-butyramide Formula: C13H16BrN3O3S MolecularWeight: 374.25344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrN3O3S/c1-13(2,3)7-11(18)16-12(21)15-10-5-4-8(17(19)20)6-9(10)14/h4-6H,7H2,1-3H3,(H2,15,16,18,21)