tert-butyl 4-[[(6-cyano-1,3-benzothiazol-2-yl)carbamoylamino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(6-cyano-1,3-benzothiazol-2-yl)carbamoylamino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(6-cyano-1,3-benzothiazol-2-yl)carbamoylamino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[[(6-cyano-1,3-benzothiazol-2-yl)amino]-oxomethyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(6-cyano-1,3-benzothiazol-2-yl)carbamoylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[(6-cyano-1,3-benzothiazol-2-yl)carbamoylamino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)NC2=NC3=C(S2)C=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CNC(=O)NC2=NC3=C(S2)C=C(C=C3)C#N

InChI

InChI=1S/C20H25N5O3S/c1-20(2,3)28-19(27)25-8-6-13(7-9-25)12-22-17(26)24-18-23-15-5-4-14(11-21)10-16(15)29-18/h4-5,10,13H,6-9,12H2,1-3H3,(H2,22,23,24,26)