methyl 6-[[(Z)-1-(3-nitrophenyl)ethylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-1-(3-nitrophenyl)ethylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-1-(3-nitrophenyl)ethylideneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-1-(3-nitrophenyl)ethylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-1-(3-nitrophenyl)ethylideneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4S/c1-12(13-7-6-8-14(11-13)20(22)23)18-19-16(25)17-10-5-3-4-9-15(21)24-2/h6-8,11H,3-5,9-10H2,1-2H3,(H2,17,19,25)/b18-12-