methyl 6-[[(Z)-1-(3-acetamidophenyl)ethylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-1-(3-acetamidophenyl)ethylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-1-(3-acetamidophenyl)ethylideneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[1-(3-acetamidophenyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-1-(3-acetamidophenyl)ethylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-1-(3-acetamidophenyl)ethylideneamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O3S/c1-13(15-8-7-9-16(12-15)20-14(2)23)21-22-18(26)19-11-6-4-5-10-17(24)25-3/h7-9,12H,4-6,10-11H2,1-3H3,(H,20,23)(H2,19,22,26)/b21-13-