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

Systemtic Name: 1-[1,3-bis(oxidanylidene)-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-butyl-N-methyl-piperidine-3-carboxamide Openeye Name: N-butyl-1-[1,3-dioxo-2-(2-thienylmethyl)isoindolin-4-yl]-N-methyl-piperidine-3-carboxamide CAS Name: N-butyl-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)-4-isoindolyl]-N-methyl-3-piperidinecarboxamide IUPAC Name: N-butyl-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-methylpiperidine-3-carboxamide Traditional Name: N-butyl-1-[1,3-diketo-2-(2-thenyl)isoindolin-4-yl]-N-methyl-nipecotamide Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1CCCN(C1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC=CS4

Isomeric SMILES

CCCCN(C)C(=O)C1CCCN(C1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC=CS4

InChI

InChI=1S/C24H29N3O3S/c1-3-4-12-25(2)22(28)17-8-6-13-26(15-17)20-11-5-10-19-21(20)24(30)27(23(19)29)16-18-9-7-14-31-18/h5,7,9-11,14,17H,3-4,6,8,12-13,15-16H2,1-2H3