(2S,3R)-N-(1,3-benzothiazol-2-yl)-1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (2S,3R)-N-(1,3-benzothiazol-2-yl)-1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (2S,3R)-N-(1,3-benzothiazol-2-yl)-1-butyl-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxamide CAS Name: (2S,3R)-N-(1,3-benzothiazol-2-yl)-1-butyl-2-(2-methoxyphenyl)-6-oxo-3-piperidinecarboxamide IUPAC Name: (2S,3R)-N-(1,3-benzothiazol-2-yl)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide Traditional Name: (2S,3R)-N-(1,3-benzothiazol-2-yl)-1-butyl-6-keto-2-(2-methoxyphenyl)nipecotamide Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4OC

Isomeric SMILES

CCCCN1[C@@H]([C@@H](CCC1=O)C(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4OC

InChI

InChI=1S/C24H27N3O3S/c1-3-4-15-27-21(28)14-13-17(22(27)16-9-5-7-11-19(16)30-2)23(29)26-24-25-18-10-6-8-12-20(18)31-24/h5-12,17,22H,3-4,13-15H2,1-2H3,(H,25,26,29)/t17-,22-/m1/s1