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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(=S)NC1=CC(=C(C=C1C)[N+](=O)[O-])Cl

Isomeric SMILES

CCCC(=O)NC(=S)NC1=CC(=C(C=C1C)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H14ClN3O3S/c1-3-4-11(17)15-12(20)14-9-6-8(13)10(16(18)19)5-7(9)2/h5-6H,3-4H2,1-2H3,(H2,14,15,17,20)