1-cyclopentyl-2-(phenylsulfanylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4C5CCCC5)CSC6=CC=CC=C6

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4C5CCCC5)CSC6=CC=CC=C6

InChI

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