methyl 6-[[(2-nitrophenyl)amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(2-nitrophenyl)amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-nitroanilino)carbamothioylamino]hexanoate CAS Name: 6-[[[(2-nitrophenyl)hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2-nitroanilino)carbamothioylamino]hexanoate Traditional Name: 6-[(2-nitroanilino)thiocarbamoylamino]hexanoic acid methyl ester Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4S/c1-22-13(19)9-3-2-6-10-15-14(23)17-16-11-7-4-5-8-12(11)18(20)21/h4-5,7-8,16H,2-3,6,9-10H2,1H3,(H2,15,17,23)