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methyl 6-[[(3-nitrophenyl)amino]carbamothioylamino]hexanoate

methyl 6-[[(3-nitrophenyl)amino]carbamothioylamino]hexanoate

Systemtic Name:methyl 6-[[(3-nitrophenyl)amino]carbamothioylamino]hexanoate
Openeye Name:methyl 6-[(3-nitroanilino)carbamothioylamino]hexanoate
CAS Name:6-[[[(3-nitrophenyl)hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester
IUPAC Name:methyl 6-[(3-nitroanilino)carbamothioylamino]hexanoate
Traditional Name:6-[(3-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)8-3-2-4-9-15-14(23)17-16-11-6-5-7-12(10-11)18(20)21/h5-7,10,16H,2-4,8-9H2,1H3,(H2,15,17,23)


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