2-butylsulfanyl-9-methyl-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 2-butylsulfanyl-9-methyl-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-butylsulfanyl-9-methyl-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(butylthio)-9-methyl-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-butylsulfanyl-9-methylspiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(butylthio)-9-methyl-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C2=C(N1)C3=C(CC24CCCCC4)C=CC(=C3)C

Isomeric SMILES

CCCCSC1=NC(=O)C2=C(N1)C3=C(CC24CCCCC4)C=CC(=C3)C

InChI

InChI=1S/C22H28N2OS/c1-3-4-12-26-21-23-19-17-13-15(2)8-9-16(17)14-22(10-6-5-7-11-22)18(19)20(25)24-21/h8-9,13H,3-7,10-12,14H2,1-2H3,(H,23,24,25)