methyl 6-[(4-azanyl-3-nitro-phenyl)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(4-azanyl-3-nitro-phenyl)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(4-amino-3-nitro-phenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(4-amino-3-nitroanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-amino-3-nitrophenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(4-amino-3-nitro-phenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC(=C(C=C1)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC(=C(C=C1)N)[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O4S/c1-22-13(19)5-3-2-4-8-16-14(23)17-10-6-7-11(15)12(9-10)18(20)21/h6-7,9H,2-5,8,15H2,1H3,(H2,16,17,23)