N-(3-methoxyphenyl)-2-(6-morpholin-4-yl-4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-methoxyphenyl)-2-(6-morpholin-4-yl-4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-methoxyphenyl)-2-(6-morpholino-4-oxo-3-phenethyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3-methoxyphenyl)-2-[[6-(4-morpholinyl)-4-oxo-3-phenethyl-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-(6-morpholin-4-yl-4-oxo-3-phenethylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]-N-(3-methoxyphenyl)acetamide Formula: C29H30N4O4S MolecularWeight: 530.6379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CCC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O4S/c1-36-24-9-5-8-22(18-24)30-27(34)20-38-29-31-26-11-10-23(32-14-16-37-17-15-32)19-25(26)28(35)33(29)13-12-21-6-3-2-4-7-21/h2-11,18-19H,12-17,20H2,1H3,(H,30,34)