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

Systemtic Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzofuran-2-carboxamide CAS Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)coumarilamide Formula: C22H19N3O2S2 MolecularWeight: 421.53516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(S2)NC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN=C(S2)NC(=O)C3=C(C4=CC=CC=C4O3)CSCC5=CC=CC=C5

InChI

InChI=1S/C22H19N3O2S2/c26-20(23-22-25-24-21(29-22)15-10-11-15)19-17(16-8-4-5-9-18(16)27-19)13-28-12-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,23,25,26)