2-[4-oxidanylidene-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanyl-N-(propylcarbamoyl)ethanamide

Systemtic Name: 2-[4-oxidanylidene-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanyl-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[4-oxo-3-(4-pyridylmethyl)quinazolin-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide CAS Name: N-[oxo(propylamino)methyl]-2-[[4-oxo-3-(pyridin-4-ylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: 2-[4-oxo-3-(pyridin-4-ylmethyl)quinazolin-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide Traditional Name: 2-[[4-keto-3-(4-pyridylmethyl)quinazolin-2-yl]thio]-N-(propylcarbamoyl)acetamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=NC=C3

Isomeric SMILES

CCCNC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=NC=C3

InChI

InChI=1S/C20H21N5O3S/c1-2-9-22-19(28)24-17(26)13-29-20-23-16-6-4-3-5-15(16)18(27)25(20)12-14-7-10-21-11-8-14/h3-8,10-11H,2,9,12-13H2,1H3,(H2,22,24,26,28)