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

Systemtic Name: 3-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-cyclohexyl-2-(p-tolylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-cyclohexyl-2-[(4-methylphenyl)methylthio]-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-cyclohexyl-2-[(4-methylbenzyl)thio]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C31H36N2OS MolecularWeight: 484.69534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2C4CCCCC4)C5(CCCCC5)CC6=CC=CC=C63

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2C4CCCCC4)C5(CCCCC5)CC6=CC=CC=C63

InChI

InChI=1S/C31H36N2OS/c1-22-14-16-23(17-15-22)21-35-30-32-28-26-13-7-6-10-24(26)20-31(18-8-3-9-19-31)27(28)29(34)33(30)25-11-4-2-5-12-25/h6-7,10,13-17,25H,2-5,8-9,11-12,18-21H2,1H3