N-(1,3-benzothiazol-2-yl)-1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(1-tert-butyl-5-oxo-pyrrolidine-3-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-[(1-tert-butyl-5-oxo-3-pyrrolidinyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-(1-tert-butyl-5-keto-pyrrolidine-3-carbonyl)isonipecotamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CC(CC1=O)C(=O)N2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)N1CC(CC1=O)C(=O)N2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H28N4O3S/c1-22(2,3)26-13-15(12-18(26)27)20(29)25-10-8-14(9-11-25)19(28)24-21-23-16-6-4-5-7-17(16)30-21/h4-7,14-15H,8-13H2,1-3H3,(H,23,24,28)