N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[[4-ethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: 4-[[(4-ethyl-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-piperonyl-benzamide Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)N5CCOCC5

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)N5CCOCC5

InChI

InChI=1S/C26H28N4O4S/c1-2-21-14-24(30-9-11-32-12-10-30)29-26(28-21)35-16-18-3-6-20(7-4-18)25(31)27-15-19-5-8-22-23(13-19)34-17-33-22/h3-8,13-14H,2,9-12,15-17H2,1H3,(H,27,31)