N-(tert-butylcarbamoyl)-2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(tert-butylcarbamoyl)-2-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]propionamide Formula: C20H28N4O4S MolecularWeight: 420.52572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NC2=CC=CC=C2C(=O)N1CCCOC

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NC2=CC=CC=C2C(=O)N1CCCOC

InChI

InChI=1S/C20H28N4O4S/c1-13(16(25)22-18(27)23-20(2,3)4)29-19-21-15-10-7-6-9-14(15)17(26)24(19)11-8-12-28-5/h6-7,9-10,13H,8,11-12H2,1-5H3,(H2,22,23,25,27)