[1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OC(C)C(=O)NC(=O)NC3CCCCC3

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OC(C)C(=O)NC(=O)NC3CCCCC3

InChI

InChI=1S/C22H27N3O4S/c1-14-12-19(24-18-11-7-6-10-17(14)18)30-13-20(26)29-15(2)21(27)25-22(28)23-16-8-4-3-5-9-16/h6-7,10-12,15-16H,3-5,8-9,13H2,1-2H3,(H2,23,25,27,28)