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

Systemtic Name: 3-(4-methoxyphenyl)-2-propan-2-ylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 2-isopropylsulfanyl-3-(4-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(4-methoxyphenyl)-2-(propan-2-ylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(4-methoxyphenyl)-2-propan-2-ylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 2-(isopropylthio)-3-(4-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C26H28N2O2S MolecularWeight: 432.57772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CC(C)SC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C26H28N2O2S/c1-17(2)31-25-27-23-21-9-5-4-8-18(21)16-26(14-6-7-15-26)22(23)24(29)28(25)19-10-12-20(30-3)13-11-19/h4-5,8-13,17H,6-7,14-16H2,1-3H3