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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(4-ethanoyl-3-methyl-phenoxy)methyl]morpholine-4-carbothioamide Openeye Name: 2-[(4-acetyl-3-methyl-phenoxy)methyl]-N-(1,3-benzodioxol-5-yl)morpholine-4-carbothioamide CAS Name: 2-[(4-acetyl-3-methylphenoxy)methyl]-N-(1,3-benzodioxol-5-yl)-4-morpholinecarbothioamide IUPAC Name: 2-[(4-acetyl-3-methylphenoxy)methyl]-N-(1,3-benzodioxol-5-yl)morpholine-4-carbothioamide Traditional Name: 2-[(4-acetyl-3-methyl-phenoxy)methyl]-N-(1,3-benzodioxol-5-yl)morpholine-4-carbothioamide Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2CN(CCO2)C(=S)NC3=CC4=C(C=C3)OCO4)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2CN(CCO2)C(=S)NC3=CC4=C(C=C3)OCO4)C(=O)C

InChI

InChI=1S/C22H24N2O5S/c1-14-9-17(4-5-19(14)15(2)25)27-12-18-11-24(7-8-26-18)22(30)23-16-3-6-20-21(10-16)29-13-28-20/h3-6,9-10,18H,7-8,11-13H2,1-2H3,(H,23,30)