[1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 1-(2-quinazolin-4-ylsulfanylethanoyl)piperidine-4-carboxylate

Systemtic Name: [1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 1-(2-quinazolin-4-ylsulfanylethanoyl)piperidine-4-carboxylate Openeye Name: [2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 1-(2-quinazolin-4-ylsulfanylacetyl)piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-(4-quinazolinylthio)ethyl]-4-piperidinecarboxylic acid [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 1-(2-quinazolin-4-ylsulfanylacetyl)piperidine-4-carboxylate Traditional Name: 1-[2-(quinazolin-4-ylthio)acetyl]isonipecotic acid [2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)C1CCN(CC1)C(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CCNC(=O)NC(=O)C(C)OC(=O)C1CCN(CC1)C(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C22H27N5O5S/c1-3-23-22(31)26-19(29)14(2)32-21(30)15-8-10-27(11-9-15)18(28)12-33-20-16-6-4-5-7-17(16)24-13-25-20/h4-7,13-15H,3,8-12H2,1-2H3,(H2,23,26,29,31)