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

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide Openeye Name: 2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide CAS Name: 2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-N-[(4-methoxyphenyl)methyl]propanamide IUPAC Name: 2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide Traditional Name: 2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-N-p-anisyl-propionamide Formula: C25H31N3O3S MolecularWeight: 453.59694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H31N3O3S/c1-4-5-6-9-16-28-24(30)21-10-7-8-11-22(21)27-25(28)32-18(2)23(29)26-17-19-12-14-20(31-3)15-13-19/h7-8,10-15,18H,4-6,9,16-17H2,1-3H3,(H,26,29)