ethyl 4-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C14H15ClN4O6S MolecularWeight: 402.8101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN4O6S/c1-2-25-12(21)6-5-11(20)16-14(26)18-17-13(22)8-3-4-9(15)10(7-8)19(23)24/h3-4,7H,2,5-6H2,1H3,(H,17,22)(H2,16,18,20,26)