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

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-[(4-methoxyphenyl)methyl]-2-phenethylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-[(4-methoxyphenyl)methyl]-2-(phenethylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-[(4-methoxyphenyl)methyl]-2-phenethylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-p-anisyl-2-(phenethylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C33H34N2O2S MolecularWeight: 522.70026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCCC6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCCC6=CC=CC=C6

InChI

InChI=1S/C33H34N2O2S/c1-37-27-16-14-25(15-17-27)23-35-31(36)29-30(34-32(35)38-21-18-24-10-4-2-5-11-24)28-13-7-6-12-26(28)22-33(29)19-8-3-9-20-33/h2,4-7,10-17H,3,8-9,18-23H2,1H3