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

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-2-propan-2-ylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-isopropylsulfanyl-3-[(4-methoxyphenyl)methyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-[(4-methoxyphenyl)methyl]-2-(propan-2-ylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-[(4-methoxyphenyl)methyl]-2-propan-2-ylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-(isopropylthio)-3-p-anisyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C28H32N2O2S MolecularWeight: 460.63088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)OC)C4(CCCCC4)CC5=CC=CC=C52

Isomeric SMILES

CC(C)SC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)OC)C4(CCCCC4)CC5=CC=CC=C52

InChI

InChI=1S/C28H32N2O2S/c1-19(2)33-27-29-25-23-10-6-5-9-21(23)17-28(15-7-4-8-16-28)24(25)26(31)30(27)18-20-11-13-22(32-3)14-12-20/h5-6,9-14,19H,4,7-8,15-18H2,1-3H3