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

Systemtic Name: methyl 6-[[(Z)-1-(4-methyl-3-nitro-phenyl)ethylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-1-(4-methyl-3-nitro-phenyl)ethylideneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[1-(4-methyl-3-nitrophenyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-1-(4-methyl-3-nitro-phenyl)ethylideneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H24N4O4S MolecularWeight: 380.46186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=NNC(=S)NCCCCCC(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=N\NC(=S)NCCCCCC(=O)OC)/C)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O4S/c1-12-8-9-14(11-15(12)21(23)24)13(2)19-20-17(26)18-10-6-4-5-7-16(22)25-3/h8-9,11H,4-7,10H2,1-3H3,(H2,18,20,26)/b19-13-