[2-imidazo[1,2-a]pyridin-6-yl-2-(methylcarbamothioyl)cyclohexyl] benzoate

Systemtic Name: [2-imidazo[1,2-a]pyridin-6-yl-2-(methylcarbamothioyl)cyclohexyl] benzoate Openeye Name: [2-imidazo[1,2-a]pyridin-6-yl-2-(methylcarbamothioyl)cyclohexyl] benzoate CAS Name: benzoic acid [2-(6-imidazo[1,2-a]pyridinyl)-2-[methylamino(sulfanylidene)methyl]cyclohexyl] ester IUPAC Name: [2-imidazo[1,2-a]pyridin-6-yl-2-(methylcarbamothioyl)cyclohexyl] benzoate Traditional Name: benzoic acid [2-imidazo[1,2-a]pyridin-6-yl-2-(methylthiocarbamoyl)cyclohexyl] ester Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1OC(=O)C2=CC=CC=C2)C3=CN4C=CN=C4C=C3

Isomeric SMILES

CNC(=S)C1(CCCCC1OC(=O)C2=CC=CC=C2)C3=CN4C=CN=C4C=C3

InChI

InChI=1S/C22H23N3O2S/c1-23-21(28)22(17-10-11-19-24-13-14-25(19)15-17)12-6-5-9-18(22)27-20(26)16-7-3-2-4-8-16/h2-4,7-8,10-11,13-15,18H,5-6,9,12H2,1H3,(H,23,28)