(5R)-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyclohexyl-5-methyl-1,6-dihydrobenzo[h]quinazolin-4-one

Systemtic Name: (5R)-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyclohexyl-5-methyl-1,6-dihydrobenzo[h]quinazolin-4-one Openeye Name: (5R)-2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-5-cyclohexyl-5-methyl-1,6-dihydrobenzo[h]quinazolin-4-one CAS Name: (5R)-2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5-cyclohexyl-5-methyl-1,6-dihydrobenzo[h]quinazolin-4-one IUPAC Name: (5R)-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-cyclohexyl-5-methyl-1,6-dihydrobenzo[h]quinazolin-4-one Traditional Name: (5R)-2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-5-cyclohexyl-5-methyl-1,6-dihydrobenzo[h]quinazolin-4-one Formula: C27H27BrN2O2S MolecularWeight: 523.48448

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)SCC(=O)C4=CC=C(C=C4)Br)C5CCCCC5

Isomeric SMILES

C[C@@]1(CC2=CC=CC=C2C3=C1C(=O)N=C(N3)SCC(=O)C4=CC=C(C=C4)Br)C5CCCCC5

InChI

InChI=1S/C27H27BrN2O2S/c1-27(19-8-3-2-4-9-19)15-18-7-5-6-10-21(18)24-23(27)25(32)30-26(29-24)33-16-22(31)17-11-13-20(28)14-12-17/h5-7,10-14,19H,2-4,8-9,15-16H2,1H3,(H,29,30,32)/t27-/m1/s1