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

Systemtic Name: 2-hexylsulfanyl-3-(2-methylpropyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-hexylsulfanyl-3-isobutyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(hexylthio)-3-(2-methylpropyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-hexylsulfanyl-3-(2-methylpropyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(hexylthio)-3-isobutyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C27H38N2OS MolecularWeight: 438.66842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C(=O)N1CC(C)C)C3(CCCCC3)CC4=CC=CC=C42

Isomeric SMILES

CCCCCCSC1=NC2=C(C(=O)N1CC(C)C)C3(CCCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C27H38N2OS/c1-4-5-6-12-17-31-26-28-24-22-14-9-8-13-21(22)18-27(15-10-7-11-16-27)23(24)25(30)29(26)19-20(2)3/h8-9,13-14,20H,4-7,10-12,15-19H2,1-3H3