4-hexoxy-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-hexoxy-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-hexoxy-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-hexoxy-N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-hexoxy-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-hexoxy-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C23H27N3O2S2 MolecularWeight: 441.60938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C

InChI

InChI=1S/C23H27N3O2S2/c1-3-4-5-6-15-28-20-13-11-19(12-14-20)21(27)24-22-25-26-23(30-22)29-16-18-9-7-17(2)8-10-18/h7-14H,3-6,15-16H2,1-2H3,(H,24,25,27)