N-[3,5-bis(chloranyl)phenyl]-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(3,5-dichlorophenyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(3,5-dichlorophenyl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(3,5-dichlorophenyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(3,5-dichlorophenyl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C23H25Cl2N3O2S MolecularWeight: 478.4345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C23H25Cl2N3O2S/c1-3-4-5-8-11-28-22(30)19-9-6-7-10-20(19)27-23(28)31-15(2)21(29)26-18-13-16(24)12-17(25)14-18/h6-7,9-10,12-15H,3-5,8,11H2,1-2H3,(H,26,29)