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

Systemtic Name: 3-(2-methylpropyl)-2-methylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-isobutyl-2-methylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(2-methylpropyl)-2-(methylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(2-methylpropyl)-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-isobutyl-2-(methylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SC

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SC

InChI

InChI=1S/C21H26N2OS/c1-14(2)13-23-19(24)17-18(22-20(23)25-3)16-9-5-4-8-15(16)12-21(17)10-6-7-11-21/h4-5,8-9,14H,6-7,10-13H2,1-3H3