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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NC3=C(C2=O)C4(CCCC4)CC5=CC=CC=C53)CSC6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C(=NC3=C(C2=O)C4(CCCC4)CC5=CC=CC=C53)CSC6=CC=CC=C6

InChI

InChI=1S/C29H32N2OS/c32-28-26-27(24-16-8-7-11-21(24)19-29(26)17-9-10-18-29)30-25(20-33-23-14-5-2-6-15-23)31(28)22-12-3-1-4-13-22/h2,5-8,11,14-16,22H,1,3-4,9-10,12-13,17-20H2