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

Systemtic Name: 2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-propyl-propanamide Openeye Name: 2-[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-propyl-propanamide CAS Name: 2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]-N-propylpropanamide IUPAC Name: 2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-propylpropanamide Traditional Name: 2-[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]-N-propyl-propionamide Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3S/c1-5-11-21-18(24)15(4)27-20-22-17-10-7-6-9-16(17)19(25)23(20)12-8-13-26-14(2)3/h6-7,9-10,14-15H,5,8,11-13H2,1-4H3,(H,21,24)