3-(2,2-dimethyloxan-4-yl)-2-propan-2-ylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 3-(2,2-dimethyloxan-4-yl)-2-propan-2-ylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-2-isopropylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(2,2-dimethyl-4-oxanyl)-2-(propan-2-ylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(2,2-dimethyloxan-4-yl)-2-propan-2-ylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-2-(isopropylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C27H36N2O2S MolecularWeight: 452.65194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CC(C)SC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C27H36N2O2S/c1-18(2)32-25-28-23-21-11-7-6-10-19(21)16-27(13-8-5-9-14-27)22(23)24(30)29(25)20-12-15-31-26(3,4)17-20/h6-7,10-11,18,20H,5,8-9,12-17H2,1-4H3