methyl 6-[[(Z)-1-(4-bromophenyl)ethylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-1-(4-bromophenyl)ethylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-1-(4-bromophenyl)ethylideneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-1-(4-bromophenyl)ethylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-1-(4-bromophenyl)ethylideneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H22BrN3O2S MolecularWeight: 400.33378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrN3O2S/c1-12(13-7-9-14(17)10-8-13)19-20-16(23)18-11-5-3-4-6-15(21)22-2/h7-10H,3-6,11H2,1-2H3,(H2,18,20,23)/b19-12-