2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propyl-propanamide

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propyl-propanamide Openeye Name: 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-propyl-propanamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-propylpropanamide IUPAC Name: 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylpropanamide Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-propyl-propionamide Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CCC(C)C

Isomeric SMILES

CCCNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CCC(C)C

InChI

InChI=1S/C19H27N3O2S/c1-5-11-20-17(23)14(4)25-19-21-16-9-7-6-8-15(16)18(24)22(19)12-10-13(2)3/h6-9,13-14H,5,10-12H2,1-4H3,(H,20,23)