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

Systemtic Name: 5-cyclohexyl-5-methyl-3-(phenylmethyl)-2-prop-2-enylsulfanyl-6H-benzo[h]quinazolin-4-one Openeye Name: 2-allylsulfanyl-3-benzyl-5-cyclohexyl-5-methyl-6H-benzo[h]quinazolin-4-one CAS Name: 5-cyclohexyl-5-methyl-3-(phenylmethyl)-2-(prop-2-enylthio)-6H-benzo[h]quinazolin-4-one IUPAC Name: 3-benzyl-5-cyclohexyl-5-methyl-2-prop-2-enylsulfanyl-6H-benzo[h]quinazolin-4-one Traditional Name: 2-(allylthio)-3-benzyl-5-cyclohexyl-5-methyl-6H-benzo[h]quinazolin-4-one Formula: C29H32N2OS MolecularWeight: 456.64218

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC=C)CC4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)SCC=C)CC4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C29H32N2OS/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/h3-4,6-7,10-14,17,23H,1,5,8-9,15-16,18-20H2,2H3