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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)butanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)butanamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]-N-(3-methoxyphenyl)butanamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)butanamide Traditional Name: 2-[(4-keto-6-morpholino-3-piperonyl-quinazolin-2-yl)thio]-N-(3-methoxyphenyl)butyramide Formula: C31H32N4O6S MolecularWeight: 588.67398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC=C1)OC)SC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)OC)SC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H32N4O6S/c1-3-28(29(36)32-21-5-4-6-23(16-21)38-2)42-31-33-25-9-8-22(34-11-13-39-14-12-34)17-24(25)30(37)35(31)18-20-7-10-26-27(15-20)41-19-40-26/h4-10,15-17,28H,3,11-14,18-19H2,1-2H3,(H,32,36)