N-[2-methyl-5-(propanoylamino)phenyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-methyl-5-(propanoylamino)phenyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide Openeye Name: N-[2-methyl-5-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide CAS Name: N-[2-methyl-5-(1-oxopropylamino)phenyl]-1-[oxo(thiophen-2-yl)methyl]-3-piperidinecarboxamide IUPAC Name: N-[2-methyl-5-(propanoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide Traditional Name: N-(2-methyl-5-propionamido-phenyl)-1-(2-thenoyl)nipecotamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-3-19(25)22-16-9-8-14(2)17(12-16)23-20(26)15-6-4-10-24(13-15)21(27)18-7-5-11-28-18/h5,7-9,11-12,15H,3-4,6,10,13H2,1-2H3,(H,22,25)(H,23,26)