methyl 6-[[(Z)-(3-nitrophenyl)methylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-(3-nitrophenyl)methylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-(3-nitrophenyl)methyleneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-(3-nitrophenyl)methylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-(3-nitrobenzylidene)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NN=CC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O4S/c1-23-14(20)8-3-2-4-9-16-15(24)18-17-11-12-6-5-7-13(10-12)19(21)22/h5-7,10-11H,2-4,8-9H2,1H3,(H2,16,18,24)/b17-11-