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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[[4-(dimethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(dimethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[4-(dimethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-piperonyl-benzamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O3S/c1-4-19-12-22(28(2)3)27-24(26-19)32-14-16-5-8-18(9-6-16)23(29)25-13-17-7-10-20-21(11-17)31-15-30-20/h5-12H,4,13-15H2,1-3H3,(H,25,29)