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

Systemtic Name: 3-butyl-2-propan-2-ylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-butyl-2-isopropylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-butyl-2-(propan-2-ylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-butyl-2-propan-2-ylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-butyl-2-(isopropylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C24H32N2OS MolecularWeight: 396.58868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SC(C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SC(C)C

InChI

InChI=1S/C24H32N2OS/c1-4-5-15-26-22(27)20-21(25-23(26)28-17(2)3)19-12-8-7-11-18(19)16-24(20)13-9-6-10-14-24/h7-8,11-12,17H,4-6,9-10,13-16H2,1-3H3