2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-cyclohexyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-cyclohexyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-3-cyclohexyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-cyclohexyl-4-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]one IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-cyclohexylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-3-cyclohexyl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one Formula: C31H33ClN2O2S MolecularWeight: 533.12392

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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=C(C=C6)Cl

Isomeric SMILES

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

InChI

InChI=1S/C31H33ClN2O2S/c32-23-15-13-21(14-16-23)26(35)20-37-30-33-28-25-12-6-5-9-22(25)19-31(17-7-2-8-18-31)27(28)29(36)34(30)24-10-3-1-4-11-24/h5-6,9,12-16,24H,1-4,7-8,10-11,17-20H2