5-cyclohexyl-5-methyl-2-(2-methylprop-2-enylsulfanyl)-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one

Systemtic Name: 5-cyclohexyl-5-methyl-2-(2-methylprop-2-enylsulfanyl)-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one Openeye Name: 3-benzyl-5-cyclohexyl-5-methyl-2-(2-methylallylsulfanyl)-6H-benzo[h]quinazolin-4-one CAS Name: 5-cyclohexyl-5-methyl-2-(2-methylprop-2-enylthio)-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3-benzyl-5-cyclohexyl-5-methyl-2-(2-methylprop-2-enylsulfanyl)-6H-benzo[h]quinazolin-4-one Traditional Name: 3-benzyl-5-cyclohexyl-5-methyl-2-(2-methylallylthio)-6H-benzo[h]quinazolin-4-one Formula: C30H34N2OS MolecularWeight: 470.66876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C(CC4=CC=CC=C42)(C)C5CCCCC5

Isomeric SMILES

CC(=C)CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C(CC4=CC=CC=C42)(C)C5CCCCC5

InChI

InChI=1S/C30H34N2OS/c1-21(2)20-34-29-31-27-25-17-11-10-14-23(25)18-30(3,24-15-8-5-9-16-24)26(27)28(33)32(29)19-22-12-6-4-7-13-22/h4,6-7,10-14,17,24H,1,5,8-9,15-16,18-20H2,2-3H3