N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]-3-methyl-butyramide Formula: C13H16ClN3O3S MolecularWeight: 329.80244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)CC(C)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)CC(C)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H16ClN3O3S/c1-7(2)4-12(18)16-13(21)15-10-6-9(14)11(17(19)20)5-8(10)3/h5-7H,4H2,1-3H3,(H2,15,16,18,21)