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

Systemtic Name: 5-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylmethyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[[[2-(1-azepanyl)-2-oxoethyl]thio]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[[2-(azepan-1-yl)-2-oxoethyl]sulfanylmethyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[[[2-(azepan-1-yl)-2-keto-ethyl]thio]methyl]-N-(p-tolyl)-1,3,4-thiadiazole-2-carboxamide Formula: C19H24N4O2S2 MolecularWeight: 404.54946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)CSCC(=O)N3CCCCCC3

InChI

InChI=1S/C19H24N4O2S2/c1-14-6-8-15(9-7-14)20-18(25)19-22-21-16(27-19)12-26-13-17(24)23-10-4-2-3-5-11-23/h6-9H,2-5,10-13H2,1H3,(H,20,25)