3-(1,3-benzodioxol-5-ylmethyl)-7-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)-2-phenacylsulfanyl-quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)-2-phenacylsulfanyl-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-phenacylsulfanyl-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-2-(phenacylthio)-4-quinazolinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-phenacylsulfanylquinazolin-4-one Traditional Name: 7-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-(phenacylthio)-3-piperonyl-quinazolin-4-one Formula: C32H29N3O7S MolecularWeight: 599.65356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SCC(=O)C5=CC=CC=C5)CC6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1CN(CCC12OCCO2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=N4)SCC(=O)C5=CC=CC=C5)CC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C32H29N3O7S/c36-26(22-4-2-1-3-5-22)19-43-31-33-25-17-23(29(37)34-12-10-32(11-13-34)41-14-15-42-32)7-8-24(25)30(38)35(31)18-21-6-9-27-28(16-21)40-20-39-27/h1-9,16-17H,10-15,18-20H2