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

Systemtic Name: 4-heptoxy-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-heptoxy-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-heptoxy-N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-heptoxy-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-heptoxy-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C24H29N3O2S2 MolecularWeight: 455.63596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C

InChI

InChI=1S/C24H29N3O2S2/c1-3-4-5-6-7-16-29-21-14-12-20(13-15-21)22(28)25-23-26-27-24(31-23)30-17-19-10-8-18(2)9-11-19/h8-15H,3-7,16-17H2,1-2H3,(H,25,26,28)