ethyl 4-(pyridin-4-ylcarbamothioylamino)benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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