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

Systemtic Name: 1-[1,3-bis(oxidanylidene)-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-methyl-N-(phenylmethyl)piperidine-3-carboxamide Openeye Name: N-benzyl-1-[1,3-dioxo-2-(2-thienylmethyl)isoindolin-4-yl]-N-methyl-piperidine-3-carboxamide CAS Name: 1-[1,3-dioxo-2-(thiophen-2-ylmethyl)-4-isoindolyl]-N-methyl-N-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: N-benzyl-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-methylpiperidine-3-carboxamide Traditional Name: N-benzyl-1-[1,3-diketo-2-(2-thenyl)isoindolin-4-yl]-N-methyl-nipecotamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2CCCN(C2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CS5

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2CCCN(C2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC=CS5

InChI

InChI=1S/C27H27N3O3S/c1-28(16-19-8-3-2-4-9-19)25(31)20-10-6-14-29(17-20)23-13-5-12-22-24(23)27(33)30(26(22)32)18-21-11-7-15-34-21/h2-5,7-9,11-13,15,20H,6,10,14,16-18H2,1H3