ethyl 4-(pyridin-3-ylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(pyridin-3-ylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(3-pyridylcarbamothioylamino)benzoate CAS Name: 4-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(pyridin-3-ylcarbamothioylamino)benzoate Traditional Name: 4-(3-pyridylthiocarbamoylamino)benzoic acid ethyl ester Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CN=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CN=CC=C2

InChI

InChI=1S/C15H15N3O2S/c1-2-20-14(19)11-5-7-12(8-6-11)17-15(21)18-13-4-3-9-16-10-13/h3-10H,2H2,1H3,(H2,17,18,21)