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

Systemtic Name: 5-cyclohexyl-2-ethylsulfanyl-5-methyl-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one Openeye Name: 3-benzyl-5-cyclohexyl-2-ethylsulfanyl-5-methyl-6H-benzo[h]quinazolin-4-one CAS Name: 5-cyclohexyl-2-(ethylthio)-5-methyl-3-(phenylmethyl)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3-benzyl-5-cyclohexyl-2-ethylsulfanyl-5-methyl-6H-benzo[h]quinazolin-4-one Traditional Name: 3-benzyl-5-cyclohexyl-2-(ethylthio)-5-methyl-6H-benzo[h]quinazolin-4-one Formula: C28H32N2OS MolecularWeight: 444.63148

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C(CC4=CC=CC=C42)(C)C5CCCCC5

Isomeric SMILES

CCSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C(CC4=CC=CC=C42)(C)C5CCCCC5

InChI

InChI=1S/C28H32N2OS/c1-3-32-27-29-25-23-17-11-10-14-21(23)18-28(2,22-15-8-5-9-16-22)24(25)26(31)30(27)19-20-12-6-4-7-13-20/h4,6-7,10-14,17,22H,3,5,8-9,15-16,18-19H2,1-2H3