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

Systemtic Name: ethyl 4-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]benzoate CAS Name: 4-[[[(2E)-2-[1-(2-pyridinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]benzoate Traditional Name: 4-[[(E)-1-(2-pyridyl)ethylideneamino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN=C(C)C2=CC=CC=N2

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2S/c1-3-23-16(22)13-7-9-14(10-8-13)19-17(24)21-20-12(2)15-6-4-5-11-18-15/h4-11H,3H2,1-2H3,(H2,19,21,24)/b20-12+