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

Systemtic Name: N-(4-methylphenyl)-4-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-(p-tolyl)benzamide CAS Name: N-(4-methylphenyl)-4-[[[5-(1-oxopropylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzamide IUPAC Name: N-(4-methylphenyl)-4-[[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[(5-propionamido-1,3,4-thiadiazol-2-yl)thio]methyl]-N-(p-tolyl)benzamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CCC(=O)NC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C20H20N4O2S2/c1-3-17(25)22-19-23-24-20(28-19)27-12-14-6-8-15(9-7-14)18(26)21-16-10-4-13(2)5-11-16/h4-11H,3,12H2,1-2H3,(H,21,26)(H,22,23,25)