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

Systemtic Name: 5-cyclohexyl-5-methyl-3-(phenylmethyl)-2-propylsulfanyl-6H-benzo[h]quinazolin-4-one Openeye Name: 3-benzyl-5-cyclohexyl-5-methyl-2-propylsulfanyl-6H-benzo[h]quinazolin-4-one CAS Name: 5-cyclohexyl-5-methyl-3-(phenylmethyl)-2-(propylthio)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3-benzyl-5-cyclohexyl-5-methyl-2-propylsulfanyl-6H-benzo[h]quinazolin-4-one Traditional Name: 3-benzyl-5-cyclohexyl-5-methyl-2-(propylthio)-6H-benzo[h]quinazolin-4-one Formula: C29H34N2OS MolecularWeight: 458.65806

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C(CC4=CC=CC=C42)(C)C5CCCCC5

Isomeric SMILES

CCCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C(CC4=CC=CC=C42)(C)C5CCCCC5

InChI

InChI=1S/C29H34N2OS/c1-3-18-33-28-30-26-24-17-11-10-14-22(24)19-29(2,23-15-8-5-9-16-23)25(26)27(32)31(28)20-21-12-6-4-7-13-21/h4,6-7,10-14,17,23H,3,5,8-9,15-16,18-20H2,1-2H3