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

Systemtic Name: tert-butyl 4-[2-[(6-cyano-1,3-benzothiazol-2-yl)carbamoylamino]ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(6-cyano-1,3-benzothiazol-2-yl)carbamoylamino]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[[[(6-cyano-1,3-benzothiazol-2-yl)amino]-oxomethyl]amino]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(6-cyano-1,3-benzothiazol-2-yl)carbamoylamino]ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(6-cyano-1,3-benzothiazol-2-yl)carbamoylamino]ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H26N6O3S MolecularWeight: 430.52384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCNC(=O)NC2=NC3=C(S2)C=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCNC(=O)NC2=NC3=C(S2)C=C(C=C3)C#N

InChI

InChI=1S/C20H26N6O3S/c1-20(2,3)29-19(28)26-10-8-25(9-11-26)7-6-22-17(27)24-18-23-15-5-4-14(13-21)12-16(15)30-18/h4-5,12H,6-11H2,1-3H3,(H2,22,23,24,27)