2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-N-(3-methylphenyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-4-oxo-quinazolin-2-yl]sulfanyl-N-ethyl-N-(m-tolyl)acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]-N-ethyl-N-(3-methylphenyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanyl-N-ethyl-N-(3-methylphenyl)acetamide Traditional Name: N-ethyl-2-[(4-keto-6-morpholino-3-piperonyl-quinazolin-2-yl)thio]-N-(m-tolyl)acetamide Formula: C31H32N4O5S MolecularWeight: 572.67458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C(=O)CSC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H32N4O5S/c1-3-34(24-6-4-5-21(2)15-24)29(36)19-41-31-32-26-9-8-23(33-11-13-38-14-12-33)17-25(26)30(37)35(31)18-22-7-10-27-28(16-22)40-20-39-27/h4-10,15-17H,3,11-14,18-20H2,1-2H3