[2-(methylcarbamothioyl)-2-(4-methylimidazol-1-yl)cyclohexyl] 2-azanylethanoate

Systemtic Name: [2-(methylcarbamothioyl)-2-(4-methylimidazol-1-yl)cyclohexyl] 2-azanylethanoate Openeye Name: [2-(methylcarbamothioyl)-2-(4-methylimidazol-1-yl)cyclohexyl] 2-aminoacetate CAS Name: 2-aminoacetic acid [2-[methylamino(sulfanylidene)methyl]-2-(4-methyl-1-imidazolyl)cyclohexyl] ester IUPAC Name: [2-(methylcarbamothioyl)-2-(4-methylimidazol-1-yl)cyclohexyl] 2-aminoacetate Traditional Name: 2-aminoacetic acid [2-(4-methylimidazol-1-yl)-2-(methylthiocarbamoyl)cyclohexyl] ester Formula: C14H22N4O2S MolecularWeight: 310.41508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)C2(CCCCC2OC(=O)CN)C(=S)NC

Isomeric SMILES

CC1=CN(C=N1)C2(CCCCC2OC(=O)CN)C(=S)NC

InChI

InChI=1S/C14H22N4O2S/c1-10-8-18(9-17-10)14(13(21)16-2)6-4-3-5-11(14)20-12(19)7-15/h8-9,11H,3-7,15H2,1-2H3,(H,16,21)