2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-[1-(2-allylsulfanylpyridine-3-carbonyl)-4-piperidyl]-N-(3-pyrrolidin-1-ylpropyl)thiazole-4-carboxamide CAS Name: 2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-N-[3-(1-pyrrolidinyl)propyl]-4-thiazolecarboxamide IUPAC Name: 2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-[1-[2-(allylthio)nicotinoyl]-4-piperidyl]-N-(3-pyrrolidinopropyl)thiazole-4-carboxamide Formula: C25H33N5O2S2 MolecularWeight: 499.69182

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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)NCCCN4CCCC4

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NCCCN4CCCC4

InChI

InChI=1S/C25H33N5O2S2/c1-2-17-33-24-20(7-5-10-27-24)25(32)30-15-8-19(9-16-30)23-28-21(18-34-23)22(31)26-11-6-14-29-12-3-4-13-29/h2,5,7,10,18-19H,1,3-4,6,8-9,11-17H2,(H,26,31)