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

Systemtic Name: 3-(2-methylpropyl)-2-propylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-isobutyl-2-propylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(2-methylpropyl)-2-(propylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(2-methylpropyl)-2-propylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-isobutyl-2-(propylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C23H30N2OS MolecularWeight: 382.5621

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=O)N1CC(C)C)C3(CCCC3)CC4=CC=CC=C42

Isomeric SMILES

CCCSC1=NC2=C(C(=O)N1CC(C)C)C3(CCCC3)CC4=CC=CC=C42

InChI

InChI=1S/C23H30N2OS/c1-4-13-27-22-24-20-18-10-6-5-9-17(18)14-23(11-7-8-12-23)19(20)21(26)25(22)15-16(2)3/h5-6,9-10,16H,4,7-8,11-15H2,1-3H3