N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzofuran-2-carboxamide CAS Name: N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-3-[(benzylthio)methyl]coumarilamide Formula: C24H25N3O2S2 MolecularWeight: 451.6042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2S2/c1-2-3-5-14-21-26-27-24(31-21)25-23(28)22-19(18-12-8-9-13-20(18)29-22)16-30-15-17-10-6-4-7-11-17/h4,6-13H,2-3,5,14-16H2,1H3,(H,25,27,28)