(5R)-5-cyclopentyl-2-(2-methylprop-2-enylsulfanyl)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4-one

Systemtic Name: (5R)-5-cyclopentyl-2-(2-methylprop-2-enylsulfanyl)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4-one Openeye Name: (5R)-5-cyclopentyl-2-(2-methylallylsulfanyl)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4-one CAS Name: (5R)-5-cyclopentyl-2-(2-methylprop-2-enylthio)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4-one IUPAC Name: (5R)-5-cyclopentyl-2-(2-methylprop-2-enylsulfanyl)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4-one Traditional Name: (5R)-5-cyclopentyl-2-(2-methylallylthio)-3-phenyl-5,6-dihydrobenzo[h]quinazolin-4-one Formula: C27H28N2OS MolecularWeight: 428.58902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NC2=C(C(CC3=CC=CC=C32)C4CCCC4)C(=O)N1C5=CC=CC=C5

Isomeric SMILES

CC(=C)CSC1=NC2=C([C@H](CC3=CC=CC=C32)C4CCCC4)C(=O)N1C5=CC=CC=C5

InChI

InChI=1S/C27H28N2OS/c1-18(2)17-31-27-28-25-22-15-9-8-12-20(22)16-23(19-10-6-7-11-19)24(25)26(30)29(27)21-13-4-3-5-14-21/h3-5,8-9,12-15,19,23H,1,6-7,10-11,16-17H2,2H3/t23-/m1/s1