1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(3-ethylpent-1-yn-3-yl)piperidine-4-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(3-ethylpent-1-yn-3-yl)piperidine-4-carboxamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-ethylpent-1-yn-3-yl)-4-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(3-ethylpent-1-yn-3-yl)piperidine-4-carboxamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-1-(1,1-diketo-1,2-benzothiazol-3-yl)isonipecotamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H25N3O3S/c1-4-20(5-2,6-3)21-19(24)15-11-13-23(14-12-15)18-16-9-7-8-10-17(16)27(25,26)22-18/h1,7-10,15H,5-6,11-14H2,2-3H3,(H,21,24)