(phenylmethyl) 2-[4-(1,2,3-thiadiazol-4-ylcarbonyl)-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(1,2,3-thiadiazol-4-ylcarbonyl)-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(thiadiazole-4-carbonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[oxo(4-thiadiazolyl)methyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(thiadiazole-4-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(thiadiazole-4-carbonyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CSN=N2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CSN=N2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O3S/c22-16(24-12-14-5-2-1-3-6-14)11-20-7-4-8-21(10-9-20)17(23)15-13-25-19-18-15/h1-3,5-6,13H,4,7-12H2