2-butylsulfanyl-3-cyclohexyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 2-butylsulfanyl-3-cyclohexyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-butylsulfanyl-3-cyclohexyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-(butylthio)-3-cyclohexyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-butylsulfanyl-3-cyclohexylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(butylthio)-3-cyclohexyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C27H36N2OS MolecularWeight: 436.65254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=O)N1C3CCCCC3)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CCCCSC1=NC2=C(C(=O)N1C3CCCCC3)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C27H36N2OS/c1-2-3-18-31-26-28-24-22-15-9-8-12-20(22)19-27(16-10-5-11-17-27)23(24)25(30)29(26)21-13-6-4-7-14-21/h8-9,12,15,21H,2-7,10-11,13-14,16-19H2,1H3