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

Systemtic Name: N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-2-methyl-propanamide Openeye Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]-2-methyl-propanamide CAS Name: N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-2-methylpropanamide Traditional Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]-2-methyl-propionamide Formula: C12H14ClN3O3S MolecularWeight: 315.77586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3O3S/c1-6(2)11(17)15-12(20)14-9-5-8(13)10(16(18)19)4-7(9)3/h4-6H,1-3H3,(H2,14,15,17,20)