3-cyclohexyl-2-(phenylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one

Systemtic Name: 3-cyclohexyl-2-(phenylmethylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-benzylsulfanyl-3-cyclohexyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-cyclohexyl-2-(phenylmethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-benzylsulfanyl-3-cyclohexylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(benzylthio)-3-cyclohexyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C29H32N2OS MolecularWeight: 456.64218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC6=CC=CC=C6

InChI

InChI=1S/C29H32N2OS/c32-27-25-26(24-16-8-7-13-22(24)19-29(25)17-9-10-18-29)30-28(31(27)23-14-5-2-6-15-23)33-20-21-11-3-1-4-12-21/h1,3-4,7-8,11-13,16,23H,2,5-6,9-10,14-15,17-20H2