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

Systemtic Name: 3-butyl-2-hexylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-butyl-2-hexylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-butyl-2-(hexylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-butyl-2-hexylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-butyl-2-(hexylthio)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)N1CCCC)C3(CCCCC3)CC4=CC=CC=C42

Isomeric SMILES

CCCCCCSC1=NC2=C(C(=O)N1CCCC)C3(CCCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C27H38N2OS/c1-3-5-7-13-19-31-26-28-24-22-15-10-9-14-21(22)20-27(16-11-8-12-17-27)23(24)25(30)29(26)18-6-4-2/h9-10,14-15H,3-8,11-13,16-20H2,1-2H3