6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-pyridin-2-ylethyl)hexanamide

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-pyridin-2-ylethyl)hexanamide Openeye Name: 6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[2-(2-pyridyl)ethyl]hexanamide CAS Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(2-pyridinyl)ethyl]hexanamide IUPAC Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-pyridin-2-ylethyl)hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[2-(2-pyridyl)ethyl]hexanamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)NCCC3=CC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)NCCC3=CC=CC=N3

InChI

InChI=1S/C21H24N4O2S/c26-19(23-14-12-16-8-5-6-13-22-16)11-2-1-7-15-25-20(27)17-9-3-4-10-18(17)24-21(25)28/h3-6,8-10,13H,1-2,7,11-12,14-15H2,(H,23,26)(H,24,28)