[1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(4,5-dihydrothiazol-2-ylthio)methyl]benzoic acid [1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(2-thiazolin-2-ylthio)methyl]benzoic acid [2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC=CC=C2CSC3=NCCS3

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC=CC=C2CSC3=NCCS3

InChI

InChI=1S/C21H27N3O4S2/c1-14(18(25)24-20(27)23-16-8-3-2-4-9-16)28-19(26)17-10-6-5-7-15(17)13-30-21-22-11-12-29-21/h5-7,10,14,16H,2-4,8-9,11-13H2,1H3,(H2,23,24,25,27)