1-(azepan-1-yl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C13H22N4O2S2 MolecularWeight: 330.46938

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NN=C(S1)SCC(=O)N2CCCCCC2

Isomeric SMILES

COCCNC1=NN=C(S1)SCC(=O)N2CCCCCC2

InChI

InChI=1S/C13H22N4O2S2/c1-19-9-6-14-12-15-16-13(21-12)20-10-11(18)17-7-4-2-3-5-8-17/h2-10H2,1H3,(H,14,15)