N-[5-[4-(azepan-1-yl)but-2-ynylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[5-[4-(azepan-1-yl)but-2-ynylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[5-[4-(azepan-1-yl)but-2-ynylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-phenoxy-acetamide CAS Name: N-[5-[4-(1-azepanyl)but-2-ynylthio]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide IUPAC Name: N-[5-[4-(azepan-1-yl)but-2-ynylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-phenoxyacetamide Traditional Name: N-[5-[4-(azepan-1-yl)but-2-ynylthio]-1,3,4-thiadiazol-2-yl]-2-phenoxy-acetamide Formula: C20H24N4O2S2 MolecularWeight: 416.56016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC#CCSC2=NN=C(S2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)CC#CCSC2=NN=C(S2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O2S2/c25-18(16-26-17-10-4-3-5-11-17)21-19-22-23-20(28-19)27-15-9-8-14-24-12-6-1-2-7-13-24/h3-5,10-11H,1-2,6-7,12-16H2,(H,21,22,25)