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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[[4-(dimethylamino)-6-methyl-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: 3-[[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]thio]methyl]-N-piperonyl-benzamide Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)N(C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)N(C)C

InChI

InChI=1S/C23H24N4O3S/c1-15-9-21(27(2)3)26-23(25-15)31-13-17-5-4-6-18(10-17)22(28)24-12-16-7-8-19-20(11-16)30-14-29-19/h4-11H,12-14H2,1-3H3,(H,24,28)