2-phenoxy-1-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-phenoxy-1-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-phenoxy-ethanone CAS Name: 2-phenoxy-1-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-phenoxy-ethanone Formula: C22H24N4O2S MolecularWeight: 408.51656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)COC2=CC=CC=C2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)COC2=CC=CC=C2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c27-21(17-28-19-10-5-2-6-11-19)25-12-7-13-26(15-14-25)22-23-20(24-29-22)16-18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2