N-(1,3-benzothiazol-2-ylmethyl)-5-(4-oxidanyl-1-pent-4-enoyl-piperidin-4-yl)-1-benzofuran-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(4-oxidanyl-1-pent-4-enoyl-piperidin-4-yl)-1-benzofuran-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(4-hydroxy-1-pent-4-enoyl-4-piperidyl)benzofuran-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-5-[4-hydroxy-1-(1-oxopent-4-enyl)-4-piperidinyl]-2-benzofurancarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(4-hydroxy-1-pent-4-enoylpiperidin-4-yl)-1-benzofuran-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-5-(4-hydroxy-1-pent-4-enoyl-4-piperidyl)coumarilamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)N1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=NC5=CC=CC=C5S4)O

Isomeric SMILES

C=CCCC(=O)N1CCC(CC1)(C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=NC5=CC=CC=C5S4)O

InChI

InChI=1S/C27H27N3O4S/c1-2-3-8-25(31)30-13-11-27(33,12-14-30)19-9-10-21-18(15-19)16-22(34-21)26(32)28-17-24-29-20-6-4-5-7-23(20)35-24/h2,4-7,9-10,15-16,33H,1,3,8,11-14,17H2,(H,28,32)