methyl 6-[[(Z)-1-phenylpropylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-1-phenylpropylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-1-phenylpropylideneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-(1-phenylpropylidene)hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-1-phenylpropylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-1-phenylpropylideneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=S)NCCCCCC(=O)OC)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-3-15(14-10-6-4-7-11-14)19-20-17(23)18-13-9-5-8-12-16(21)22-2/h4,6-7,10-11H,3,5,8-9,12-13H2,1-2H3,(H2,18,20,23)/b19-15-