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

Systemtic Name: 3-(2-methylpropyl)-2-methylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-isobutyl-2-methylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(2-methylpropyl)-2-(methylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(2-methylpropyl)-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-isobutyl-2-(methylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SC

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SC

InChI

InChI=1S/C22H28N2OS/c1-15(2)14-24-20(25)18-19(23-21(24)26-3)17-10-6-5-9-16(17)13-22(18)11-7-4-8-12-22/h5-6,9-10,15H,4,7-8,11-14H2,1-3H3