N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[1-(2-prop-2-enylsulfanylpyridin-3-yl)carbonylpiperidin-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-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-(6-methoxy-1,3-benzothiazol-2-yl)thiazole-4-carboxamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[1-[oxo-[2-(prop-2-enylthio)-3-pyridinyl]methyl]-4-piperidinyl]-4-thiazolecarboxamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-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-(6-methoxy-1,3-benzothiazol-2-yl)thiazole-4-carboxamide Formula: C26H25N5O3S3 MolecularWeight: 551.7034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C5=C(N=CC=C5)SCC=C

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CSC(=N3)C4CCN(CC4)C(=O)C5=C(N=CC=C5)SCC=C

InChI

InChI=1S/C26H25N5O3S3/c1-3-13-35-24-18(5-4-10-27-24)25(33)31-11-8-16(9-12-31)23-28-20(15-36-23)22(32)30-26-29-19-7-6-17(34-2)14-21(19)37-26/h3-7,10,14-16H,1,8-9,11-13H2,2H3,(H,29,30,32)