tert-butyl 4-[2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethanoylamino]ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[2-(1,3-benzothiazol-2-ylmethylthio)-1-oxoethyl]amino]-1-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[[2-(1,3-benzothiazol-2-ylmethylsulfanyl)acetyl]amino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[2-(1,3-benzothiazol-2-ylmethylthio)acetyl]amino]acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CNC(=O)CSCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CNC(=O)CSCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H28N4O4S2/c1-21(2,3)29-20(28)25-10-8-24(9-11-25)19(27)12-22-17(26)13-30-14-18-23-15-6-4-5-7-16(15)31-18/h4-7H,8-14H2,1-3H3,(H,22,26)