tert-butyl 3-[[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[[2-(1,3-benzothiazol-2-ylamino)-1-oxoethyl]hydrazo]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NNC(=O)CNC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NNC(=O)CNC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H27N5O4S/c1-20(2,3)29-19(28)25-10-6-7-13(12-25)17(27)24-23-16(26)11-21-18-22-14-8-4-5-9-15(14)30-18/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,21,22)(H,23,26)(H,24,27)