methyl 6-[[(Z)-1-(4-chloranyl-3-nitro-phenyl)ethylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-1-(4-chloranyl-3-nitro-phenyl)ethylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-1-(4-chloro-3-nitro-phenyl)ethylideneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[1-(4-chloro-3-nitrophenyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-1-(4-chloro-3-nitro-phenyl)ethylideneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H21ClN4O4S MolecularWeight: 400.88034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCCCCC(=O)OC)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

C/C(=N/NC(=S)NCCCCCC(=O)OC)/C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H21ClN4O4S/c1-11(12-7-8-13(17)14(10-12)21(23)24)19-20-16(26)18-9-5-3-4-6-15(22)25-2/h7-8,10H,3-6,9H2,1-2H3,(H2,18,20,26)/b19-11-