methyl 6-[[(Z)-(4-acetamidophenyl)methylideneamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(Z)-(4-acetamidophenyl)methylideneamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(Z)-(4-acetamidophenyl)methyleneamino]carbamothioylamino]hexanoate CAS Name: 6-[[[(2Z)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(Z)-(4-acetamidophenyl)methylideneamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(Z)-(4-acetamidobenzylidene)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H24N4O3S MolecularWeight: 364.46246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C=NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)/C=N\NC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C17H24N4O3S/c1-13(22)20-15-9-7-14(8-10-15)12-19-21-17(25)18-11-5-3-4-6-16(23)24-2/h7-10,12H,3-6,11H2,1-2H3,(H,20,22)(H2,18,21,25)/b19-12-