N-(4-methylphenyl)-5-[[2-oxidanylidene-2-(1-phenylethylamino)ethyl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: N-(4-methylphenyl)-5-[[2-oxidanylidene-2-(1-phenylethylamino)ethyl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylmethyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(4-methylphenyl)-5-[[[2-oxo-2-(1-phenylethylamino)ethyl]thio]methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-(4-methylphenyl)-5-[[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[[2-keto-2-(1-phenylethylamino)ethyl]thio]methyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSCC(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSCC(=O)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S2/c1-14-8-10-17(11-9-14)23-20(27)21-25-24-19(29-21)13-28-12-18(26)22-15(2)16-6-4-3-5-7-16/h3-11,15H,12-13H2,1-2H3,(H,22,26)(H,23,27)