N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-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-(1,3-benzodioxol-5-ylmethyl)thiazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-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-piperonyl-thiazole-4-carboxamide Formula: C26H26N4O4S2 MolecularWeight: 522.63904

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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)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C=CCSC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=NC(=CS3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H26N4O4S2/c1-2-12-35-25-19(4-3-9-27-25)26(32)30-10-7-18(8-11-30)24-29-20(15-36-24)23(31)28-14-17-5-6-21-22(13-17)34-16-33-21/h2-6,9,13,15,18H,1,7-8,10-12,14,16H2,(H,28,31)