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

Systemtic Name: 2-(3-methylbutylsulfanyl)-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-isopentylsulfanyl-3-propyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 2-(3-methylbutylthio)-3-propyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 2-(3-methylbutylsulfanyl)-3-propylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(isoamylthio)-3-propyl-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:

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCCC(C)C

Isomeric SMILES

CCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCCC(C)C

InChI

InChI=1S/C24H32N2OS/c1-4-14-26-22(27)20-21(25-23(26)28-15-11-17(2)3)19-10-6-5-9-18(19)16-24(20)12-7-8-13-24/h5-6,9-10,17H,4,7-8,11-16H2,1-3H3