N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-methyl-2-propan-2-yl-pyrimidin-4-yl)oxymethyl]morpholine-4-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-methyl-2-propan-2-yl-pyrimidin-4-yl)oxymethyl]morpholine-4-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-isopropyl-6-methyl-pyrimidin-4-yl)oxymethyl]morpholine-4-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-methyl-2-propan-2-yl-4-pyrimidinyl)oxymethyl]-4-morpholinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholine-4-carbothioamide Traditional Name: 2-[(2-isopropyl-6-methyl-pyrimidin-4-yl)oxymethyl]-N-piperonyl-morpholine-4-carbothioamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)OCC2CN(CCO2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)OCC2CN(CCO2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H28N4O4S/c1-14(2)21-24-15(3)8-20(25-21)28-12-17-11-26(6-7-27-17)22(31)23-10-16-4-5-18-19(9-16)30-13-29-18/h4-5,8-9,14,17H,6-7,10-13H2,1-3H3,(H,23,31)