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

Systemtic Name: [2-imidazo[1,2-a]pyridin-6-yl-2-(methylcarbamothioyl)cyclohexyl] 2-azanylethanoate Openeye Name: [2-imidazo[1,2-a]pyridin-6-yl-2-(methylcarbamothioyl)cyclohexyl] 2-aminoacetate CAS Name: 2-aminoacetic 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] 2-aminoacetate Traditional Name: 2-aminoacetic acid [2-imidazo[1,2-a]pyridin-6-yl-2-(methylthiocarbamoyl)cyclohexyl] ester Formula: C17H22N4O2S MolecularWeight: 346.44718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1OC(=O)CN)C2=CN3C=CN=C3C=C2

Isomeric SMILES

CNC(=S)C1(CCCCC1OC(=O)CN)C2=CN3C=CN=C3C=C2

InChI

InChI=1S/C17H22N4O2S/c1-19-16(24)17(7-3-2-4-13(17)23-15(22)10-18)12-5-6-14-20-8-9-21(14)11-12/h5-6,8-9,11,13H,2-4,7,10,18H2,1H3,(H,19,24)