N-(1,3-benzodioxol-5-yl)-2-[(4-chloranyl-2-ethanoyl-phenoxy)methyl]morpholine-4-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(4-chloranyl-2-ethanoyl-phenoxy)methyl]morpholine-4-carbothioamide Openeye Name: 2-[(2-acetyl-4-chloro-phenoxy)methyl]-N-(1,3-benzodioxol-5-yl)morpholine-4-carbothioamide CAS Name: 2-[(2-acetyl-4-chlorophenoxy)methyl]-N-(1,3-benzodioxol-5-yl)-4-morpholinecarbothioamide IUPAC Name: 2-[(2-acetyl-4-chlorophenoxy)methyl]-N-(1,3-benzodioxol-5-yl)morpholine-4-carbothioamide Traditional Name: 2-[(2-acetyl-4-chloro-phenoxy)methyl]-N-(1,3-benzodioxol-5-yl)morpholine-4-carbothioamide Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)Cl)OCC2CN(CCO2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)Cl)OCC2CN(CCO2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21ClN2O5S/c1-13(25)17-8-14(22)2-4-18(17)27-11-16-10-24(6-7-26-16)21(30)23-15-3-5-19-20(9-15)29-12-28-19/h2-5,8-9,16H,6-7,10-12H2,1H3,(H,23,30)