[(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 2,2-diphenylethanoate

Systemtic Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-yl-cyclohexyl] 2,2-diphenylethanoate Openeye Name: [(1R,2S)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl] 2,2-diphenylacetate CAS Name: 2,2-diphenylacetic acid [(1R,2S)-2-[methylamino(sulfanylidene)methyl]-2-(3-pyridinyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(methylcarbamothioyl)-2-pyridin-3-ylcyclohexyl] 2,2-diphenylacetate Traditional Name: 2,2-diphenylacetic acid [(1R,2S)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl] ester Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CNC(=S)[C@@]1(CCCC[C@H]1OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C27H28N2O2S/c1-28-26(32)27(22-15-10-18-29-19-22)17-9-8-16-23(27)31-25(30)24(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-7,10-15,18-19,23-24H,8-9,16-17H2,1H3,(H,28,32)/t23-,27+/m1/s1