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

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-2-phenacylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-[(4-methoxyphenyl)methyl]-2-phenacylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-[(4-methoxyphenyl)methyl]-2-(phenacylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-[(4-methoxyphenyl)methyl]-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-p-anisyl-2-(phenacylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C33H32N2O3S MolecularWeight: 536.68378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)C6=CC=CC=C6

InChI

InChI=1S/C33H32N2O3S/c1-38-26-16-14-23(15-17-26)21-35-31(37)29-30(34-32(35)39-22-28(36)24-10-4-2-5-11-24)27-13-7-6-12-25(27)20-33(29)18-8-3-9-19-33/h2,4-7,10-17H,3,8-9,18-22H2,1H3