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

Systemtic Name: 2-butylsulfanyl-3-(2-methylpropyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-butylsulfanyl-3-isobutyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(butylthio)-3-(2-methylpropyl)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-butylsulfanyl-3-(2-methylpropyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(butylthio)-3-isobutyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C25H34N2OS MolecularWeight: 410.61526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1CC(C)C)C3(CCCCC3)CC4=CC=CC=C42

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1CC(C)C)C3(CCCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C25H34N2OS/c1-4-5-15-29-24-26-22-20-12-8-7-11-19(20)16-25(13-9-6-10-14-25)21(22)23(28)27(24)17-18(2)3/h7-8,11-12,18H,4-6,9-10,13-17H2,1-3H3