3,3-dimethyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]butanamide

Systemtic Name: 3,3-dimethyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]butanamide Openeye Name: 3,3-dimethyl-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]butanamide CAS Name: 3,3-dimethyl-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]butanamide IUPAC Name: 3,3-dimethyl-N-[(2-methyl-5-nitrophenyl)carbamothioyl]butanamide Traditional Name: 3,3-dimethyl-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]butyramide Formula: C14H19N3O3S MolecularWeight: 309.38396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)CC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)CC(C)(C)C

InChI

InChI=1S/C14H19N3O3S/c1-9-5-6-10(17(19)20)7-11(9)15-13(21)16-12(18)8-14(2,3)4/h5-7H,8H2,1-4H3,(H2,15,16,18,21)