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

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-[(4-methoxyphenyl)methyl]-2-(methylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-[(4-methoxyphenyl)methyl]-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(methylthio)-3-p-anisyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C26H28N2O2S MolecularWeight: 432.57772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SC

InChI

InChI=1S/C26H28N2O2S/c1-30-20-12-10-18(11-13-20)17-28-24(29)22-23(27-25(28)31-2)21-9-5-4-8-19(21)16-26(22)14-6-3-7-15-26/h4-5,8-13H,3,6-7,14-17H2,1-2H3