N-(2-methyl-1,3-benzothiazol-5-yl)-5-[1-(3-methylsulfanylpropyl)-4-oxidanyl-piperidin-4-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-5-yl)-5-[1-(3-methylsulfanylpropyl)-4-oxidanyl-piperidin-4-yl]-1-benzofuran-2-carboxamide Openeye Name: 5-[4-hydroxy-1-(3-methylsulfanylpropyl)-4-piperidyl]-N-(2-methyl-1,3-benzothiazol-5-yl)benzofuran-2-carboxamide CAS Name: 5-[4-hydroxy-1-[3-(methylthio)propyl]-4-piperidinyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-2-benzofurancarboxamide IUPAC Name: 5-[4-hydroxy-1-(3-methylsulfanylpropyl)piperidin-4-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)-1-benzofuran-2-carboxamide Traditional Name: 5-[4-hydroxy-1-[3-(methylthio)propyl]-4-piperidyl]-N-(2-methyl-1,3-benzothiazol-5-yl)coumarilamide Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC(=O)C3=CC4=C(O3)C=CC(=C4)C5(CCN(CC5)CCCSC)O

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC(=O)C3=CC4=C(O3)C=CC(=C4)C5(CCN(CC5)CCCSC)O

InChI

InChI=1S/C26H29N3O3S2/c1-17-27-21-16-20(5-7-24(21)34-17)28-25(30)23-15-18-14-19(4-6-22(18)32-23)26(31)8-11-29(12-9-26)10-3-13-33-2/h4-7,14-16,31H,3,8-13H2,1-2H3,(H,28,30)