N-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: 1-[oxo(thiophen-2-yl)methyl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-4-piperidinecarboxamide IUPAC Name: N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-(2-keto-2-mesidino-ethyl)-1-(2-thenoyl)isonipecotamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)C2CCN(CC2)C(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)C2CCN(CC2)C(=O)C3=CC=CS3)C

InChI

InChI=1S/C22H27N3O3S/c1-14-11-15(2)20(16(3)12-14)24-19(26)13-23-21(27)17-6-8-25(9-7-17)22(28)18-5-4-10-29-18/h4-5,10-12,17H,6-9,13H2,1-3H3,(H,23,27)(H,24,26)