N-(tert-butylcarbamoyl)-2-[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[7-chloro-3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(tert-butylcarbamoyl)-2-[[7-chloro-3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C22H31ClN4O4S MolecularWeight: 483.02394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C22H31ClN4O4S/c1-13(2)31-11-7-10-27-19(29)16-9-8-15(23)12-17(16)24-21(27)32-14(3)18(28)25-20(30)26-22(4,5)6/h8-9,12-14H,7,10-11H2,1-6H3,(H2,25,26,28,30)