ethyl 4-[ethanoylcarbamothioyl(pyridin-4-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[ethanoylcarbamothioyl(pyridin-4-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[acetylcarbamothioyl(4-pyridylmethyl)amino]benzoate CAS Name: 4-[[acetamido(sulfanylidene)methyl]-(pyridin-4-ylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[acetylcarbamothioyl(pyridin-4-ylmethyl)amino]benzoate Traditional Name: 4-[acetylthiocarbamoyl(4-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=S)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CC=NC=C2)C(=S)NC(=O)C

InChI

InChI=1S/C18H19N3O3S/c1-3-24-17(23)15-4-6-16(7-5-15)21(18(25)20-13(2)22)12-14-8-10-19-11-9-14/h4-11H,3,12H2,1-2H3,(H,20,22,25)