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

Systemtic Name: 3-(phenylmethyl)-2-propan-2-ylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Openeye Name: 3-benzyl-2-isopropylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one CAS Name: 3-(phenylmethyl)-2-(propan-2-ylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]one IUPAC Name: 3-benzyl-2-propan-2-ylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Traditional Name: 3-benzyl-2-(isopropylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one Formula: C26H28N2OS MolecularWeight: 416.57832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

Isomeric SMILES

CC(C)SC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C26H28N2OS/c1-18(2)30-25-27-23-21-13-7-6-12-20(21)16-26(14-8-9-15-26)22(23)24(29)28(25)17-19-10-4-3-5-11-19/h3-7,10-13,18H,8-9,14-17H2,1-2H3