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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C16H26N4OS2 MolecularWeight: 354.53384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(S2)NC3CCCCC3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(S2)NC3CCCCC3

InChI

InChI=1S/C16H26N4OS2/c21-14(20-10-6-1-2-7-11-20)12-22-16-19-18-15(23-16)17-13-8-4-3-5-9-13/h13H,1-12H2,(H,17,18)