1-(phenylmethyl)-6-(pyridin-2-ylmethoxy)-4-(1,2,3-thiadiazol-4-ylcarbonyl)-1,4-diazepan-2-one

Systemtic Name: 1-(phenylmethyl)-6-(pyridin-2-ylmethoxy)-4-(1,2,3-thiadiazol-4-ylcarbonyl)-1,4-diazepan-2-one Openeye Name: 1-benzyl-6-(2-pyridylmethoxy)-4-(thiadiazole-4-carbonyl)-1,4-diazepan-2-one CAS Name: 4-[oxo(4-thiadiazolyl)methyl]-1-(phenylmethyl)-6-(2-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-6-(pyridin-2-ylmethoxy)-4-(thiadiazole-4-carbonyl)-1,4-diazepan-2-one Traditional Name: 1-benzyl-6-(2-pyridylmethoxy)-4-(thiadiazole-4-carbonyl)-1,4-diazepan-2-one Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1C(=O)C2=CSN=N2)CC3=CC=CC=C3)OCC4=CC=CC=N4

Isomeric SMILES

C1C(CN(C(=O)CN1C(=O)C2=CSN=N2)CC3=CC=CC=C3)OCC4=CC=CC=N4

InChI

InChI=1S/C21H21N5O3S/c27-20-13-26(21(28)19-15-30-24-23-19)12-18(29-14-17-8-4-5-9-22-17)11-25(20)10-16-6-2-1-3-7-16/h1-9,15,18H,10-14H2