2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-heptan-2-yl-ethanamide

Systemtic Name: 2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-heptan-2-yl-ethanamide Openeye Name: 2-[7-chloro-3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-methylhexyl)acetamide CAS Name: 2-[[7-chloro-3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-heptan-2-ylacetamide IUPAC Name: 2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-heptan-2-ylacetamide Traditional Name: 2-[[7-chloro-4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]-N-(1-methylhexyl)acetamide Formula: C21H30ClN3O3S MolecularWeight: 439.9992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCCOC

Isomeric SMILES

CCCCCC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CCCOC

InChI

InChI=1S/C21H30ClN3O3S/c1-4-5-6-8-15(2)23-19(26)14-29-21-24-18-13-16(22)9-10-17(18)20(27)25(21)11-7-12-28-3/h9-10,13,15H,4-8,11-12,14H2,1-3H3,(H,23,26)