5-cyclohexyl-5-methyl-2-(phenylmethylsulfanyl)-1,6-dihydrobenzo[h]quinazolin-4-one

Systemtic Name: 5-cyclohexyl-5-methyl-2-(phenylmethylsulfanyl)-1,6-dihydrobenzo[h]quinazolin-4-one Openeye Name: 2-benzylsulfanyl-5-cyclohexyl-5-methyl-1,6-dihydrobenzo[h]quinazolin-4-one CAS Name: 5-cyclohexyl-5-methyl-2-(phenylmethylthio)-1,6-dihydrobenzo[h]quinazolin-4-one IUPAC Name: 2-benzylsulfanyl-5-cyclohexyl-5-methyl-1,6-dihydrobenzo[h]quinazolin-4-one Traditional Name: 2-(benzylthio)-5-cyclohexyl-5-methyl-1,6-dihydrobenzo[h]quinazolin-4-one Formula: C26H28N2OS MolecularWeight: 416.57832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)SCC4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)SCC4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C26H28N2OS/c1-26(20-13-6-3-7-14-20)16-19-12-8-9-15-21(19)23-22(26)24(29)28-25(27-23)30-17-18-10-4-2-5-11-18/h2,4-5,8-12,15,20H,3,6-7,13-14,16-17H2,1H3,(H,27,28,29)