methyl 4-[[(2-nitrophenyl)amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(2-nitrophenyl)amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[(2-nitroanilino)carbamothioylamino]butanoate CAS Name: 4-[[[(2-nitrophenyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-nitroanilino)carbamothioylamino]butanoate Traditional Name: 4-[(2-nitroanilino)thiocarbamoylamino]butyric acid methyl ester Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCNC(=S)NNC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O4S/c1-20-11(17)7-4-8-13-12(21)15-14-9-5-2-3-6-10(9)16(18)19/h2-3,5-6,14H,4,7-8H2,1H3,(H2,13,15,21)