N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-(2-allylsulfanylpyridine-3-carbonyl)-4-piperidyl]-N-[2-(2-furylmethylsulfanyl)ethyl]thiazole-4-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-[2-(allylthio)nicotinoyl]-4-piperidyl]-N-[2-(2-furfurylthio)ethyl]thiazole-4-carboxamide Formula: C25H28N4O3S3 MolecularWeight: 528.70982

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NCCSCC4=CC=CO4

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NCCSCC4=CC=CO4

InChI

InChI=1S/C25H28N4O3S3/c1-2-14-34-24-20(6-3-9-27-24)25(31)29-11-7-18(8-12-29)23-28-21(17-35-23)22(30)26-10-15-33-16-19-5-4-13-32-19/h2-6,9,13,17-18H,1,7-8,10-12,14-16H2,(H,26,30)