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

Systemtic Name: 5-cyclohexyl-5-methyl-2-(2-phenoxyethylsulfanyl)-1,6-dihydrobenzo[h]quinazolin-4-one Openeye Name: 5-cyclohexyl-5-methyl-2-(2-phenoxyethylsulfanyl)-1,6-dihydrobenzo[h]quinazolin-4-one CAS Name: 5-cyclohexyl-5-methyl-2-(2-phenoxyethylthio)-1,6-dihydrobenzo[h]quinazolin-4-one IUPAC Name: 5-cyclohexyl-5-methyl-2-(2-phenoxyethylsulfanyl)-1,6-dihydrobenzo[h]quinazolin-4-one Traditional Name: 5-cyclohexyl-5-methyl-2-(2-phenoxyethylthio)-1,6-dihydrobenzo[h]quinazolin-4-one Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)SCCOC4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)SCCOC4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C27H30N2O2S/c1-27(20-11-4-2-5-12-20)18-19-10-8-9-15-22(19)24-23(27)25(30)29-26(28-24)32-17-16-31-21-13-6-3-7-14-21/h3,6-10,13-15,20H,2,4-5,11-12,16-18H2,1H3,(H,28,29,30)