2-(2,3-dihydro-1H-inden-1-ylcarbamothioylamino)ethyl pyridine-3-carboxylate

Systemtic Name: 2-(2,3-dihydro-1H-inden-1-ylcarbamothioylamino)ethyl pyridine-3-carboxylate Openeye Name: 2-(indan-1-ylcarbamothioylamino)ethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-[[(2,3-dihydro-1H-inden-1-ylamino)-sulfanylidenemethyl]amino]ethyl ester IUPAC Name: 2-(2,3-dihydro-1H-inden-1-ylcarbamothioylamino)ethyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-(indan-1-ylthiocarbamoylamino)ethyl ester Formula: C18H19N3O2S MolecularWeight: 341.42736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C1NC(=S)NCCOC(=O)C3=CN=CC=C3

Isomeric SMILES

C1CC2=CC=CC=C2C1NC(=S)NCCOC(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H19N3O2S/c22-17(14-5-3-9-19-12-14)23-11-10-20-18(24)21-16-8-7-13-4-1-2-6-15(13)16/h1-6,9,12,16H,7-8,10-11H2,(H2,20,21,24)