prop-2-ynyl 4-[4-[[methyl(quinoxalin-2-yl)amino]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[4-[[methyl(quinoxalin-2-yl)amino]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[[methyl(quinoxalin-2-yl)amino]carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[2-methyl-2-(2-quinoxalinyl)hydrazinyl]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[[methyl(quinoxalin-2-yl)amino]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[[methyl(quinoxalin-2-yl)amino]carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C22H22N6O3S MolecularWeight: 450.51348

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC2=CC=CC=C2N=C1)NC(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)OCC#C

Isomeric SMILES

CN(C1=NC2=CC=CC=C2N=C1)NC(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)OCC#C

InChI

InChI=1S/C22H22N6O3S/c1-3-12-31-22(30)28-10-8-15(9-11-28)21-25-18(14-32-21)20(29)26-27(2)19-13-23-16-6-4-5-7-17(16)24-19/h1,4-7,13-15H,8-12H2,2H3,(H,26,29)