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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[[4-(dimethylamino)-6-phenyl-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(dimethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-piperonyl-benzamide Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(C)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H26N4O3S/c1-32(2)26-15-23(21-6-4-3-5-7-21)30-28(31-26)36-17-19-8-11-22(12-9-19)27(33)29-16-20-10-13-24-25(14-20)35-18-34-24/h3-15H,16-18H2,1-2H3,(H,29,33)