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

Systemtic Name: N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]butanamide Openeye Name: N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]butanamide CAS Name: N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]butanamide Traditional Name: N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]butyramide Formula: C12H13ClN4O4S MolecularWeight: 344.77402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN4O4S/c1-2-3-10(18)14-12(22)16-15-11(19)7-4-5-8(13)9(6-7)17(20)21/h4-6H,2-3H2,1H3,(H,15,19)(H2,14,16,18,22)