N-(6-butyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylcarbonyl)piperidine-3-carboxamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylcarbonyl)piperidine-3-carboxamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-[2-furanyl(oxo)methyl]-3-piperidinecarboxamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-3-carboxamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-1-(2-furoyl)nipecotamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)C(=O)C4=CC=CO4

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H25N3O3S/c1-2-3-6-15-9-10-17-19(13-15)29-22(23-17)24-20(26)16-7-4-11-25(14-16)21(27)18-8-5-12-28-18/h5,8-10,12-13,16H,2-4,6-7,11,14H2,1H3,(H,23,24,26)