N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-15(2)20(26)24-18-8-3-6-16(12-18)13-23-21(27)17-7-4-10-25(14-17)22(28)19-9-5-11-29-19/h3,5-6,8-9,11-12,15,17H,4,7,10,13-14H2,1-2H3,(H,23,27)(H,24,26)