1-[1,3-bis(oxidanylidene)-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-[1,3-bis(oxidanylidene)-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[1,3-dioxo-2-(2-thienylmethyl)isoindolin-4-yl]-N-ethyl-N-(4-pyridylmethyl)piperidine-4-carboxamide CAS Name: 1-[1,3-dioxo-2-(thiophen-2-ylmethyl)-4-isoindolyl]-N-ethyl-N-(pyridin-4-ylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-[1,3-diketo-2-(2-thenyl)isoindolin-4-yl]-N-ethyl-N-(4-pyridylmethyl)isonipecotamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CS5

Isomeric SMILES

CCN(CC1=CC=NC=C1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CS5

InChI

InChI=1S/C27H28N4O3S/c1-2-29(17-19-8-12-28-13-9-19)25(32)20-10-14-30(15-11-20)23-7-3-6-22-24(23)27(34)31(26(22)33)18-21-5-4-16-35-21/h3-9,12-13,16,20H,2,10-11,14-15,17-18H2,1H3