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

Systemtic Name: methyl 6-[[(Z)-(4-methyl-3-nitro-phenyl)methylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-(4-methyl-3-nitro-phenyl)methyleneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[(4-methyl-3-nitrophenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-(4-methyl-3-nitro-benzylidene)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H22N4O4S MolecularWeight: 366.43528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4S/c1-12-7-8-13(10-14(12)20(22)23)11-18-19-16(25)17-9-5-3-4-6-15(21)24-2/h7-8,10-11H,3-6,9H2,1-2H3,(H2,17,19,25)/b18-11-