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

Systemtic Name: 2-methoxy-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-methoxy-ethanone CAS Name: 2-methoxy-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-methoxyethanone Traditional Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-2-methoxy-ethanone Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CCCN(CC1)C2=NC(=NS2)CC3=CC=CC=C3

Isomeric SMILES

COCC(=O)N1CCCN(CC1)C2=NC(=NS2)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N4O2S/c1-23-13-16(22)20-8-5-9-21(11-10-20)17-18-15(19-24-17)12-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3