3-(2-methoxyphenyl)-2-[(4-oxidanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-yl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 3-(2-methoxyphenyl)-2-[(4-oxidanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-yl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-(2-methoxyphenyl)-2-[(4-oxospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-yl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(2-methoxyphenyl)-2-[(4-oxo-2-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]yl)methylthio]-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(2-methoxyphenyl)-2-[(4-oxospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-yl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-[(4-ketospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-yl)methylthio]-3-(2-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C41H40N4O3S MolecularWeight: 668.8463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=NC(=O)C7=C(N6)C8=CC=CC=C8CC79CCCC9

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC6=NC(=O)C7=C(N6)C8=CC=CC=C8CC79CCCC9

InChI

InChI=1S/C41H40N4O3S/c1-48-31-18-8-7-17-30(31)45-38(47)34-36(29-16-6-4-14-27(29)24-41(34)19-9-2-10-20-41)44-39(45)49-25-32-42-35-28-15-5-3-13-26(28)23-40(21-11-12-22-40)33(35)37(46)43-32/h3-8,13-18H,2,9-12,19-25H2,1H3,(H,42,43,46)