ethanedioic acid; N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide

Systemtic Name: ethanedioic acid; N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide Openeye Name: oxalic acid; N-[4-[2-(1-piperidyl)thiazol-4-yl]phenyl]hexanamide CAS Name: oxalic acid; N-[4-[2-(1-piperidinyl)-4-thiazolyl]phenyl]hexanamide IUPAC Name: oxalic acid; N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]hexanamide Traditional Name: oxalic acid; N-[4-(2-piperidinothiazol-4-yl)phenyl]hexanamide Formula: C22H29N3O5S MolecularWeight: 447.54776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)N3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)N3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27N3OS.C2H2O4/c1-2-3-5-8-19(24)21-17-11-9-16(10-12-17)18-15-25-20(22-18)23-13-6-4-7-14-23;3-1(4)2(5)6/h9-12,15H,2-8,13-14H2,1H3,(H,21,24);(H,3,4)(H,5,6)