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

Systemtic Name: 1-[1,3-bis(oxidanylidene)-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N,N-dimethyl-piperidine-4-carboxamide Openeye Name: 1-[1,3-dioxo-2-(2-thienylmethyl)isoindolin-4-yl]-N,N-dimethyl-piperidine-4-carboxamide CAS Name: 1-[1,3-dioxo-2-(thiophen-2-ylmethyl)-4-isoindolyl]-N,N-dimethyl-4-piperidinecarboxamide IUPAC Name: 1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N,N-dimethylpiperidine-4-carboxamide Traditional Name: 1-[1,3-diketo-2-(2-thenyl)isoindolin-4-yl]-N,N-dimethyl-isonipecotamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC=CS4

Isomeric SMILES

CN(C)C(=O)C1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC=CS4

InChI

InChI=1S/C21H23N3O3S/c1-22(2)19(25)14-8-10-23(11-9-14)17-7-3-6-16-18(17)21(27)24(20(16)26)13-15-5-4-12-28-15/h3-7,12,14H,8-11,13H2,1-2H3