2-[[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide CAS Name: 2-[[5-[[2-(1-azepanyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: 2-[[5-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]thio]acetamide Formula: C12H18N4O2S3 MolecularWeight: 346.49192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(S2)SCC(=O)N

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(S2)SCC(=O)N

InChI

InChI=1S/C12H18N4O2S3/c13-9(17)7-19-11-14-15-12(21-11)20-8-10(18)16-5-3-1-2-4-6-16/h1-8H2,(H2,13,17)