5-cyclohexyl-5-methyl-2-(5-phenylhex-2-enylsulfanyl)-1,2,3,4a,6,10b-hexahydrobenzo[h]quinazolin-4-one

Systemtic Name: 5-cyclohexyl-5-methyl-2-(5-phenylhex-2-enylsulfanyl)-1,2,3,4a,6,10b-hexahydrobenzo[h]quinazolin-4-one Openeye Name: 5-cyclohexyl-5-methyl-2-(5-phenylhex-2-enylsulfanyl)-1,2,3,4a,6,10b-hexahydrobenzo[h]quinazolin-4-one CAS Name: 5-cyclohexyl-5-methyl-2-(5-phenylhex-2-enylthio)-1,2,3,4a,6,10b-hexahydrobenzo[h]quinazolin-4-one IUPAC Name: 5-cyclohexyl-5-methyl-2-(5-phenylhex-2-enylsulfanyl)-1,2,3,4a,6,10b-hexahydrobenzo[h]quinazolin-4-one Traditional Name: 5-cyclohexyl-5-methyl-2-(5-phenylhex-2-enylthio)-1,2,3,4a,6,10b-hexahydrobenzo[h]quinazolin-4-one Formula: C31H40N2OS MolecularWeight: 488.7271

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=CCSC1NC2C(C(=O)N1)C(CC3=CC=CC=C23)(C)C4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

CC(CC=CCSC1NC2C(C(=O)N1)C(CC3=CC=CC=C23)(C)C4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C31H40N2OS/c1-22(23-14-5-3-6-15-23)13-11-12-20-35-30-32-28-26-19-10-9-16-24(26)21-31(2,27(28)29(34)33-30)25-17-7-4-8-18-25/h3,5-6,9-12,14-16,19,22,25,27-28,30,32H,4,7-8,13,17-18,20-21H2,1-2H3,(H,33,34)