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

Systemtic Name: 3-[(4-methylphenyl)methyl]-2-propan-2-ylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-isopropylsulfanyl-3-(p-tolylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-[(4-methylphenyl)methyl]-2-(propan-2-ylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-[(4-methylphenyl)methyl]-2-propan-2-ylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(isopropylthio)-3-(4-methylbenzyl)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:

CC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SC(C)C

InChI

InChI=1S/C28H32N2OS/c1-19(2)32-27-29-25-23-10-6-5-9-22(23)17-28(15-7-4-8-16-28)24(25)26(31)30(27)18-21-13-11-20(3)12-14-21/h5-6,9-14,19H,4,7-8,15-18H2,1-3H3