N-[4-(3-methylbutanoylamino)phenyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-[oxo(thiophen-2-yl)methyl]-3-piperidinecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-1-(2-thenoyl)nipecotamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=CS3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC=CS3

InChI

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