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

Systemtic Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(benzylsulfanylmethyl)-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzofuran-2-carboxamide CAS Name: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(phenylmethylthio)methyl]-2-benzofurancarboxamide IUPAC Name: 3-(benzylsulfanylmethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide Traditional Name: 3-[(benzylthio)methyl]-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)coumarilamide Formula: C23H23N3O2S2 MolecularWeight: 437.57762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O2S2/c1-15(2)12-20-25-26-23(30-20)24-22(27)21-18(17-10-6-7-11-19(17)28-21)14-29-13-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,24,26,27)