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

Systemtic Name: 2-butylsulfanyl-3-(2,2-dimethyloxan-4-yl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-butylsulfanyl-3-(2,2-dimethyltetrahydropyran-4-yl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(butylthio)-3-(2,2-dimethyl-4-oxanyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-butylsulfanyl-3-(2,2-dimethyloxan-4-yl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(butylthio)-3-(2,2-dimethyltetrahydropyran-4-yl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C28H38N2O2S MolecularWeight: 466.67852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C28H38N2O2S/c1-4-5-17-33-26-29-24-22-12-8-7-11-20(22)18-28(14-9-6-10-15-28)23(24)25(31)30(26)21-13-16-32-27(2,3)19-21/h7-8,11-12,21H,4-6,9-10,13-19H2,1-3H3