ethyl 4-[[(E)-1-pyridin-2-ylpropylideneamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(E)-1-pyridin-2-ylpropylideneamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(E)-1-(2-pyridyl)propylideneamino]carbamothioylamino]benzoate CAS Name: 4-[[[(2E)-2-[1-(2-pyridinyl)propylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-1-pyridin-2-ylpropylideneamino]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-1-(2-pyridyl)propylideneamino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=S)NC1=CC=C(C=C1)C(=O)OCC)C2=CC=CC=N2

Isomeric SMILES

CC/C(=N\NC(=S)NC1=CC=C(C=C1)C(=O)OCC)/C2=CC=CC=N2

InChI

InChI=1S/C18H20N4O2S/c1-3-15(16-7-5-6-12-19-16)21-22-18(25)20-14-10-8-13(9-11-14)17(23)24-4-2/h5-12H,3-4H2,1-2H3,(H2,20,22,25)/b21-15+