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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N(C)C)SCC2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(N=C(N=C1N(C)C)SCC2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

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