N-(ethylcarbamoyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(ethylcarbamoyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(ethylcarbamoyl)-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(ethylcarbamoyl)-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(ethylcarbamoyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(ethylcarbamoyl)-2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]propionamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CN=CC=C3

Isomeric SMILES

CCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CN=CC=C3

InChI

InChI=1S/C20H21N5O3S/c1-3-22-19(28)24-17(26)13(2)29-20-23-16-9-5-4-8-15(16)18(27)25(20)12-14-7-6-10-21-11-14/h4-11,13H,3,12H2,1-2H3,(H2,22,24,26,28)