3-phenethyl-2-propan-2-ylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 3-phenethyl-2-propan-2-ylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-isopropylsulfanyl-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-phenethyl-2-(propan-2-ylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-phenethyl-2-propan-2-ylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(isopropylthio)-3-phenethyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C28H32N2OS MolecularWeight: 444.63148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CC(C)SC1=NC2=C(C(=O)N1CCC3=CC=CC=C3)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C28H32N2OS/c1-20(2)32-27-29-25-23-14-8-7-13-22(23)19-28(16-9-4-10-17-28)24(25)26(31)30(27)18-15-21-11-5-3-6-12-21/h3,5-8,11-14,20H,4,9-10,15-19H2,1-2H3