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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethanoyl-3-methyl-phenoxy)methyl]morpholine-4-carbothioamide Openeye Name: 2-[(4-acetyl-3-methyl-phenoxy)methyl]-N-(1,3-benzodioxol-5-ylmethyl)morpholine-4-carbothioamide CAS Name: 2-[(4-acetyl-3-methylphenoxy)methyl]-N-(1,3-benzodioxol-5-ylmethyl)-4-morpholinecarbothioamide IUPAC Name: 2-[(4-acetyl-3-methylphenoxy)methyl]-N-(1,3-benzodioxol-5-ylmethyl)morpholine-4-carbothioamide Traditional Name: 2-[(4-acetyl-3-methyl-phenoxy)methyl]-N-piperonyl-morpholine-4-carbothioamide Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2CN(CCO2)C(=S)NCC3=CC4=C(C=C3)OCO4)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2CN(CCO2)C(=S)NCC3=CC4=C(C=C3)OCO4)C(=O)C

InChI

InChI=1S/C23H26N2O5S/c1-15-9-18(4-5-20(15)16(2)26)28-13-19-12-25(7-8-27-19)23(31)24-11-17-3-6-21-22(10-17)30-14-29-21/h3-6,9-10,19H,7-8,11-14H2,1-2H3,(H,24,31)