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

Systemtic Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hexoxy-benzamide Openeye Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hexoxy-benzamide CAS Name: N-[5-[(2-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-hexoxybenzamide IUPAC Name: N-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hexoxybenzamide Traditional Name: N-[5-[(2-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=CC=C3Cl

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C22H24ClN3O2S2/c1-2-3-4-7-14-28-18-12-10-16(11-13-18)20(27)24-21-25-26-22(30-21)29-15-17-8-5-6-9-19(17)23/h5-6,8-13H,2-4,7,14-15H2,1H3,(H,24,25,27)