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

Systemtic Name: 3-(furan-2-ylmethyl)-2-hexylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-(2-furylmethyl)-2-hexylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(2-furanylmethyl)-2-(hexylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-(furan-2-ylmethyl)-2-hexylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-(2-furfuryl)-2-(hexylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C27H32N2O2S MolecularWeight: 448.62018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C(=O)N1CC3=CC=CO3)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCCCSC1=NC2=C(C(=O)N1CC3=CC=CO3)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C27H32N2O2S/c1-2-3-4-9-17-32-26-28-24-22-13-6-5-11-20(22)18-27(14-7-8-15-27)23(24)25(30)29(26)19-21-12-10-16-31-21/h5-6,10-13,16H,2-4,7-9,14-15,17-19H2,1H3