N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[1-(5-methyl-1-phenyl-pyrazol-4-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[1-(5-methyl-1-phenyl-pyrazol-4-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-2-[1-(5-methyl-1-phenyl-pyrazole-4-carbonyl)-4-piperidyl]thiazole-4-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-2-[1-[(5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-2-[1-(5-methyl-1-phenyl-pyrazole-4-carbonyl)-4-piperidyl]thiazole-4-carboxamide Formula: C27H29N5O3S2 MolecularWeight: 535.68086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCC(CC3)C4=NC(=CS4)C(=O)NCCSCC5=CC=CO5

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCC(CC3)C4=NC(=CS4)C(=O)NCCSCC5=CC=CO5

InChI

InChI=1S/C27H29N5O3S2/c1-19-23(16-29-32(19)21-6-3-2-4-7-21)27(34)31-12-9-20(10-13-31)26-30-24(18-37-26)25(33)28-11-15-36-17-22-8-5-14-35-22/h2-8,14,16,18,20H,9-13,15,17H2,1H3,(H,28,33)