2-[4-(2,6-dimethylmorpholin-4-yl)carbothioyl-2-ethoxy-6-iodanyl-phenoxy]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-(2,6-dimethylmorpholin-4-yl)carbothioyl-2-ethoxy-6-iodanyl-phenoxy]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(2,6-dimethylmorpholine-4-carbothioyl)-2-ethoxy-6-iodo-phenoxy]-1-morpholino-ethanone CAS Name: 2-[4-[(2,6-dimethyl-4-morpholinyl)-sulfanylidenemethyl]-2-ethoxy-6-iodophenoxy]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(2,6-dimethylmorpholine-4-carbothioyl)-2-ethoxy-6-iodophenoxy]-1-morpholin-4-ylethanone Traditional Name: 2-[4-(2,6-dimethylmorpholine-4-carbothioyl)-2-ethoxy-6-iodo-phenoxy]-1-morpholino-ethanone Formula: C21H29IN2O5S MolecularWeight: 548.43483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=S)N2CC(OC(C2)C)C)I)OCC(=O)N3CCOCC3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=S)N2CC(OC(C2)C)C)I)OCC(=O)N3CCOCC3

InChI

InChI=1S/C21H29IN2O5S/c1-4-27-18-10-16(21(30)24-11-14(2)29-15(3)12-24)9-17(22)20(18)28-13-19(25)23-5-7-26-8-6-23/h9-10,14-15H,4-8,11-13H2,1-3H3