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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(isopropylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C13H22N4OS2 MolecularWeight: 314.46998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN=C(S1)SCC(=O)N2CCCCCC2

Isomeric SMILES

CC(C)NC1=NN=C(S1)SCC(=O)N2CCCCCC2

InChI

InChI=1S/C13H22N4OS2/c1-10(2)14-12-15-16-13(20-12)19-9-11(18)17-7-5-3-4-6-8-17/h10H,3-9H2,1-2H3,(H,14,15)