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

Systemtic Name: 2-[(4-oxidanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-yl)methylsulfanyl]-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-[(4-oxospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-yl)methylsulfanyl]-3-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-[(4-oxo-2-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]yl)methylthio]-3-phenyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-[(4-oxospiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-2-yl)methylsulfanyl]-3-phenylspiro[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-phenyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C40H38N4O2S MolecularWeight: 638.82032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC5=NC(=O)C6=C(N5)C7=CC=CC=C7CC68CCCC8)C9=CC=CC=C9

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC5=NC(=O)C6=C(N5)C7=CC=CC=C7CC68CCCC8)C9=CC=CC=C9

InChI

InChI=1S/C40H38N4O2S/c45-36-32-34(29-17-7-5-13-26(29)23-39(32)21-11-12-22-39)41-31(42-36)25-47-38-43-35-30-18-8-6-14-27(30)24-40(19-9-2-10-20-40)33(35)37(46)44(38)28-15-3-1-4-16-28/h1,3-8,13-18H,2,9-12,19-25H2,(H,41,42,45)