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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]thio]ethanone Formula: C16H22N4OS3 MolecularWeight: 382.56708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(S2)NCCC3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(S2)NCCC3=CC=CS3

InChI

InChI=1S/C16H22N4OS3/c21-14(20-9-3-1-2-4-10-20)12-23-16-19-18-15(24-16)17-8-7-13-6-5-11-22-13/h5-6,11H,1-4,7-10,12H2,(H,17,18)