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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(6-methyl-2-propan-2-yl-pyrimidin-4-yl)oxymethyl]morpholine-4-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(2-isopropyl-6-methyl-pyrimidin-4-yl)oxymethyl]morpholine-4-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(6-methyl-2-propan-2-yl-4-pyrimidinyl)oxymethyl]-4-morpholinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholine-4-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(2-isopropyl-6-methyl-pyrimidin-4-yl)oxymethyl]morpholine-4-carbothioamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)OCC2CN(CCO2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)OCC2CN(CCO2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N4O4S/c1-13(2)20-22-14(3)8-19(24-20)27-11-16-10-25(6-7-26-16)21(30)23-15-4-5-17-18(9-15)29-12-28-17/h4-5,8-9,13,16H,6-7,10-12H2,1-3H3,(H,23,30)