1-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-2-phenylmethoxy-ethanone

Systemtic Name: 1-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-2-phenylmethoxy-ethanone Openeye Name: 2-benzyloxy-1-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-2-phenylmethoxyethanone IUPAC Name: 1-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-2-phenylmethoxyethanone Traditional Name: 2-benzoxy-1-[4-[3-(4-chlorobenzyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]ethanone Formula: C23H25ClN4O2S MolecularWeight: 456.9882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)COCC2=CC=CC=C2)C3=NC(=NS3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)COCC2=CC=CC=C2)C3=NC(=NS3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN4O2S/c24-20-9-7-18(8-10-20)15-21-25-23(31-26-21)28-12-4-11-27(13-14-28)22(29)17-30-16-19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2