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

Systemtic Name: 3-(2,2-dimethyloxan-4-yl)-2-phenacylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-2-phenacylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-(2,2-dimethyl-4-oxanyl)-2-(phenacylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-(2,2-dimethyloxan-4-yl)-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-2-(phenacylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C32H36N2O3S MolecularWeight: 528.70484

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)C6=CC=CC=C6)C

Isomeric SMILES

CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)C6=CC=CC=C6)C

InChI

InChI=1S/C32H36N2O3S/c1-31(2)20-24(15-18-37-31)34-29(36)27-28(33-30(34)38-21-26(35)22-11-5-3-6-12-22)25-14-8-7-13-23(25)19-32(27)16-9-4-10-17-32/h3,5-8,11-14,24H,4,9-10,15-21H2,1-2H3