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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[1-(2-methylbutyl)-4-oxidanyl-piperidin-4-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[4-hydroxy-1-(2-methylbutyl)-4-piperidyl]benzofuran-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[4-hydroxy-1-(2-methylbutyl)-4-piperidinyl]-2-benzofurancarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[4-hydroxy-1-(2-methylbutyl)piperidin-4-yl]-1-benzofuran-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[4-hydroxy-1-(2-methylbutyl)-4-piperidyl]coumarilamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=NC5=CC=CC=C5S4)O

Isomeric SMILES

CCC(C)CN1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=NC5=CC=CC=C5S4)O

InChI

InChI=1S/C27H31N3O3S/c1-3-18(2)17-30-12-10-27(32,11-13-30)20-8-9-22-19(14-20)15-23(33-22)26(31)28-16-25-29-21-6-4-5-7-24(21)34-25/h4-9,14-15,18,32H,3,10-13,16-17H2,1-2H3,(H,28,31)