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

Systemtic Name: 2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propyl-propanamide Openeye Name: 2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-propyl-propanamide CAS Name: 2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-propylpropanamide IUPAC Name: 2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylpropanamide Traditional Name: 2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]-N-propyl-propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC

Isomeric SMILES

CCCNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H23N3O3S/c1-4-12-22-19(25)14(2)28-21-23-18-11-6-5-10-17(18)20(26)24(21)15-8-7-9-16(13-15)27-3/h5-11,13-14H,4,12H2,1-3H3,(H,22,25)