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

Systemtic Name: 2-butylsulfanyl-3-(2-methylpropyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-butylsulfanyl-3-isobutyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(butylthio)-3-(2-methylpropyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-butylsulfanyl-3-(2-methylpropyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(butylthio)-3-isobutyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C24H32N2OS MolecularWeight: 396.58868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1CC(C)C)C3(CCCC3)CC4=CC=CC=C42

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1CC(C)C)C3(CCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C24H32N2OS/c1-4-5-14-28-23-25-21-19-11-7-6-10-18(19)15-24(12-8-9-13-24)20(21)22(27)26(23)16-17(2)3/h6-7,10-11,17H,4-5,8-9,12-16H2,1-3H3