S-[(1-ethyl-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)methyl] benzenecarbothioate

Systemtic Name: S-[(1-ethyl-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)methyl] benzenecarbothioate Openeye Name: S-[(1-ethyl-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(1-ethyl-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]yl)methyl] ester IUPAC Name: S-[(1-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(1-ethyl-4-keto-spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)methyl] ester Formula: C26H26N2O2S MolecularWeight: 430.56184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=O)C2=C1C3=CC=CC=C3CC24CCCC4)CSC(=O)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=NC(=O)C2=C1C3=CC=CC=C3CC24CCCC4)CSC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H26N2O2S/c1-2-28-21(17-31-25(30)18-10-4-3-5-11-18)27-24(29)22-23(28)20-13-7-6-12-19(20)16-26(22)14-8-9-15-26/h3-7,10-13H,2,8-9,14-17H2,1H3