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

Systemtic Name: 2-phenylmethoxy-1-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-benzyloxy-1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-phenylmethoxy-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-phenylmethoxyethanone Traditional Name: 2-benzoxy-1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]ethanone Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S/c28-22(18-29-17-20-10-5-2-6-11-20)26-12-7-13-27(15-14-26)23-24-21(25-30-23)16-19-8-3-1-4-9-19/h1-6,8-11H,7,12-18H2