2-butylsulfanyl-3-[(4-methoxyphenyl)methyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 2-butylsulfanyl-3-[(4-methoxyphenyl)methyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-butylsulfanyl-3-[(4-methoxyphenyl)methyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(butylthio)-3-[(4-methoxyphenyl)methyl]-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-butylsulfanyl-3-[(4-methoxyphenyl)methyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(butylthio)-3-p-anisyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C29H34N2O2S MolecularWeight: 474.65746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)OC)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)OC)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C29H34N2O2S/c1-3-4-18-34-28-30-26-24-11-7-6-10-22(24)19-29(16-8-5-9-17-29)25(26)27(32)31(28)20-21-12-14-23(33-2)15-13-21/h6-7,10-15H,3-5,8-9,16-20H2,1-2H3