prop-2-ynyl 4-[4-[[(4-dimethylaminophenyl)carbonylamino]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[4-[[(4-dimethylaminophenyl)carbonylamino]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[[[4-(dimethylamino)benzoyl]amino]carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[[(4-dimethylaminophenyl)-oxomethyl]hydrazo]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[[[4-(dimethylamino)benzoyl]amino]carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[[[4-(dimethylamino)benzoyl]amino]carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)OCC#C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)OCC#C

InChI

InChI=1S/C22H25N5O4S/c1-4-13-31-22(30)27-11-9-16(10-12-27)21-23-18(14-32-21)20(29)25-24-19(28)15-5-7-17(8-6-15)26(2)3/h1,5-8,14,16H,9-13H2,2-3H3,(H,24,28)(H,25,29)