[2-(methylcarbamothioyl)-2-(4-methylimidazol-1-yl)cyclohexyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoate

Systemtic Name: [2-(methylcarbamothioyl)-2-(4-methylimidazol-1-yl)cyclohexyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoate Openeye Name: [2-(methylcarbamothioyl)-2-(4-methylimidazol-1-yl)cyclohexyl] 2-(tert-butoxycarbonylamino)acetate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid [2-[methylamino(sulfanylidene)methyl]-2-(4-methyl-1-imidazolyl)cyclohexyl] ester IUPAC Name: [2-(methylcarbamothioyl)-2-(4-methylimidazol-1-yl)cyclohexyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate Traditional Name: 2-(tert-butoxycarbonylamino)acetic acid [2-(4-methylimidazol-1-yl)-2-(methylthiocarbamoyl)cyclohexyl] ester Formula: C19H30N4O4S MolecularWeight: 410.5309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O4S/c1-13-11-23(12-22-13)19(16(28)20-5)9-7-6-8-14(19)26-15(24)10-21-17(25)27-18(2,3)4/h11-12,14H,6-10H2,1-5H3,(H,20,28)(H,21,25)