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

Systemtic Name: 3-butyl-2-methylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-butyl-2-methylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-butyl-2-(methylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-butyl-2-methylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-butyl-2-(methylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C22H28N2OS MolecularWeight: 368.53552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SC

Isomeric SMILES

CCCCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SC

InChI

InChI=1S/C22H28N2OS/c1-3-4-14-24-20(25)18-19(23-21(24)26-2)17-11-7-6-10-16(17)15-22(18)12-8-5-9-13-22/h6-7,10-11H,3-5,8-9,12-15H2,1-2H3