methyl 6-[[(Z)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-(5-bromo-2-methoxy-phenyl)methyleneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-(5-bromo-2-methoxy-benzylidene)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H22BrN3O3S MolecularWeight: 416.33318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=N\NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C16H22BrN3O3S/c1-22-14-8-7-13(17)10-12(14)11-19-20-16(24)18-9-5-3-4-6-15(21)23-2/h7-8,10-11H,3-6,9H2,1-2H3,(H2,18,20,24)/b19-11-