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

Systemtic Name: N-[(4-chloranyl-2-nitro-phenyl)carbamothioyl]-3-methyl-butanamide Openeye Name: N-[(4-chloro-2-nitro-phenyl)carbamothioyl]-3-methyl-butanamide CAS Name: N-[(4-chloro-2-nitroanilino)-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[(4-chloro-2-nitrophenyl)carbamothioyl]-3-methylbutanamide Traditional Name: N-[(4-chloro-2-nitro-phenyl)thiocarbamoyl]-3-methyl-butyramide Formula: C12H14ClN3O3S MolecularWeight: 315.77586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3O3S/c1-7(2)5-11(17)15-12(20)14-9-4-3-8(13)6-10(9)16(18)19/h3-4,6-7H,5H2,1-2H3,(H2,14,15,17,20)