3-cyclohexyl-2-phenacylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 3-cyclohexyl-2-phenacylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 3-cyclohexyl-2-phenacylsulfanyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 3-cyclohexyl-2-(phenacylthio)-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 3-cyclohexyl-2-phenacylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 3-cyclohexyl-2-(phenacylthio)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C31H34N2O2S MolecularWeight: 498.67886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H34N2O2S/c34-26(22-12-4-1-5-13-22)21-36-30-32-28-25-17-9-8-14-23(25)20-31(18-10-3-11-19-31)27(28)29(35)33(30)24-15-6-2-7-16-24/h1,4-5,8-9,12-14,17,24H,2-3,6-7,10-11,15-16,18-21H2