[2-(methylcarbamothioyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-yl-cyclohexyl] ethanoate

Systemtic Name: [2-(methylcarbamothioyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-yl-cyclohexyl] ethanoate Openeye Name: [1-(tert-butoxycarbonylamino)-2-(methylcarbamothioyl)-2-(3-pyridyl)cyclohexyl] acetate CAS Name: acetic acid [2-[methylamino(sulfanylidene)methyl]-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(3-pyridinyl)cyclohexyl] ester IUPAC Name: [2-(methylcarbamothioyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-3-ylcyclohexyl] acetate Traditional Name: acetic acid [1-(tert-butoxycarbonylamino)-2-(methylthiocarbamoyl)-2-(3-pyridyl)cyclohexyl] ester Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CCCCC1(C2=CN=CC=C2)C(=S)NC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC1(CCCCC1(C2=CN=CC=C2)C(=S)NC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H29N3O4S/c1-14(24)26-20(23-17(25)27-18(2,3)4)11-7-6-10-19(20,16(28)21-5)15-9-8-12-22-13-15/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,21,28)(H,23,25)