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

Systemtic Name: 3-(3-methoxyphenyl)-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-isopentylsulfanyl-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(3-methoxyphenyl)-2-(3-methylbutylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(3-methoxyphenyl)-2-(3-methylbutylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(isoamylthio)-3-(3-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C28H32N2O2S MolecularWeight: 460.63088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)OC)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CC(C)CCSC1=NC2=C(C(=O)N1C3=CC(=CC=C3)OC)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C28H32N2O2S/c1-19(2)13-16-33-27-29-25-23-12-5-4-9-20(23)18-28(14-6-7-15-28)24(25)26(31)30(27)21-10-8-11-22(17-21)32-3/h4-5,8-12,17,19H,6-7,13-16,18H2,1-3H3