2-(2,3-dihydro-1H-inden-1-ylcarbamothioylamino)ethyl pyridine-4-carboxylate

Systemtic Name: 2-(2,3-dihydro-1H-inden-1-ylcarbamothioylamino)ethyl pyridine-4-carboxylate Openeye Name: 2-(indan-1-ylcarbamothioylamino)ethyl pyridine-4-carboxylate CAS Name: 4-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-4-carboxylate Traditional Name: isonicotinic acid 2-(indan-1-ylthiocarbamoylamino)ethyl ester Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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