N-(tert-butylcarbamoyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[3-(3-morpholinopropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[3-[3-(4-morpholinyl)propyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(tert-butylcarbamoyl)-2-[[4-keto-3-(3-morpholinopropyl)quinazolin-2-yl]thio]acetamide Formula: C22H31N5O4S MolecularWeight: 461.57764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCN3CCOCC3

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCN3CCOCC3

InChI

InChI=1S/C22H31N5O4S/c1-22(2,3)25-20(30)24-18(28)15-32-21-23-17-8-5-4-7-16(17)19(29)27(21)10-6-9-26-11-13-31-14-12-26/h4-5,7-8H,6,9-15H2,1-3H3,(H2,24,25,28,30)