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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-5-yl)-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-methyl-1,3-benzothiazol-5-yl)thiazole-4-carboxamide CAS Name: N-(2-methyl-1,3-benzothiazol-5-yl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-5-yl)-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-methyl-1,3-benzothiazol-5-yl)thiazole-4-carboxamide Formula: C26H25N5O2S3 MolecularWeight: 535.704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C5=C(N=CC=C5)SCC=C

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C5=C(N=CC=C5)SCC=C

InChI

InChI=1S/C26H25N5O2S3/c1-3-13-34-25-19(5-4-10-27-25)26(33)31-11-8-17(9-12-31)24-30-21(15-35-24)23(32)29-18-6-7-22-20(14-18)28-16(2)36-22/h3-7,10,14-15,17H,1,8-9,11-13H2,2H3,(H,29,32)