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

Systemtic Name: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hexoxy-benzamide Openeye Name: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hexoxy-benzamide CAS Name: N-[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-hexoxybenzamide IUPAC Name: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hexoxybenzamide Traditional Name: N-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-hexoxy-benzamide Formula: C22H24ClN3O2S2 MolecularWeight: 462.02786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O2S2/c1-2-3-4-5-14-28-19-12-8-17(9-13-19)20(27)24-21-25-26-22(30-21)29-15-16-6-10-18(23)11-7-16/h6-13H,2-5,14-15H2,1H3,(H,24,25,27)