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

Systemtic Name: N-heptan-2-yl-2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-methylhexyl)acetamide CAS Name: N-heptan-2-yl-2-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-heptan-2-yl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]-N-(1-methylhexyl)acetamide Formula: C21H31N3O3S MolecularWeight: 405.55414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCOC

Isomeric SMILES

CCCCCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCOC

InChI

InChI=1S/C21H31N3O3S/c1-4-5-6-10-16(2)22-19(25)15-28-21-23-18-12-8-7-11-17(18)20(26)24(21)13-9-14-27-3/h7-8,11-12,16H,4-6,9-10,13-15H2,1-3H3,(H,22,25)