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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one CAS Name: 1-(1-azepanyl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]propan-1-one Formula: C15H26N4OS2 MolecularWeight: 342.52314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N4OS2/c1-3-4-9-16-14-17-18-15(22-14)21-12(2)13(20)19-10-7-5-6-8-11-19/h12H,3-11H2,1-2H3,(H,16,17)