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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C14H24N4OS2 MolecularWeight: 328.49656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC(=O)N2CCCCCC2

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC(=O)N2CCCCCC2

InChI

InChI=1S/C14H24N4OS2/c1-2-3-8-15-13-16-17-14(21-13)20-11-12(19)18-9-6-4-5-7-10-18/h2-11H2,1H3,(H,15,16)