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

Systemtic Name: 2-butylsulfanyl-5-cyclohexyl-5-methyl-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one Openeye Name: 3-benzyl-2-butylsulfanyl-5-cyclohexyl-5-methyl-6H-benzo[h]quinazolin-4-one CAS Name: 2-(butylthio)-5-cyclohexyl-5-methyl-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3-benzyl-2-butylsulfanyl-5-cyclohexyl-5-methyl-6H-benzo[h]quinazolin-4-one Traditional Name: 3-benzyl-2-(butylthio)-5-cyclohexyl-5-methyl-6H-benzo[h]quinazolin-4-one Formula: C30H36N2OS MolecularWeight: 472.68464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C(CC4=CC=CC=C42)(C)C5CCCCC5

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C(CC4=CC=CC=C42)(C)C5CCCCC5

InChI

InChI=1S/C30H36N2OS/c1-3-4-19-34-29-31-27-25-18-12-11-15-23(25)20-30(2,24-16-9-6-10-17-24)26(27)28(33)32(29)21-22-13-7-5-8-14-22/h5,7-8,11-15,18,24H,3-4,6,9-10,16-17,19-21H2,1-2H3