prop-2-ynyl 4-[4-[(1H-indazol-3-ylcarbonylamino)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[4-[(1H-indazol-3-ylcarbonylamino)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[(1H-indazole-3-carbonylamino)carbamoyl]thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[[1H-indazol-3-yl(oxo)methyl]hydrazo]-oxomethyl]-2-thiazolyl]-1-piperidinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[(1H-indazole-3-carbonylamino)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[(1H-indazole-3-carbonylamino)carbamoyl]thiazol-2-yl]piperidine-1-carboxylic acid propargyl ester Formula: C21H20N6O4S MolecularWeight: 452.4863

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NNC(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

C#CCOC(=O)N1CCC(CC1)C2=NC(=CS2)C(=O)NNC(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C21H20N6O4S/c1-2-11-31-21(30)27-9-7-13(8-10-27)20-22-16(12-32-20)18(28)25-26-19(29)17-14-5-3-4-6-15(14)23-24-17/h1,3-6,12-13H,7-11H2,(H,23,24)(H,25,28)(H,26,29)