ethyl 4-[[4-(1,3-benzothiazol-6-ylcarbonylamino)piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-(1,3-benzothiazol-6-ylcarbonylamino)piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-(1,3-benzothiazole-6-carbonylamino)piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(1,3-benzothiazole-6-carbonylamino)piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-(1,3-benzothiazole-6-carbonylamino)isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C22H29N5O4S/c1-2-31-21(30)27-11-5-16(6-12-27)25-20(29)22(7-9-23-10-8-22)26-19(28)15-3-4-17-18(13-15)32-14-24-17/h3-4,13-14,16,23H,2,5-12H2,1H3,(H,25,29)(H,26,28)