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

Systemtic Name: N-(4-methylphenyl)-5-[[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanylmethyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: N-(4-methylphenyl)-5-[[[2-oxo-2-(3-phenylpropylamino)ethyl]thio]methyl]-1,3,4-thiadiazole-2-carboxamide IUPAC Name: N-(4-methylphenyl)-5-[[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[[2-keto-2-(3-phenylpropylamino)ethyl]thio]methyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide Formula: C22H24N4O2S2 MolecularWeight: 440.58156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSCC(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSCC(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O2S2/c1-16-9-11-18(12-10-16)24-21(28)22-26-25-20(30-22)15-29-14-19(27)23-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H,23,27)(H,24,28)