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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[[4-(diethylamino)-6-ethyl-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(diethylamino)-6-ethylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: 3-[[[4-(diethylamino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-piperonyl-benzamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3S/c1-4-21-14-24(30(5-2)6-3)29-26(28-21)34-16-19-8-7-9-20(12-19)25(31)27-15-18-10-11-22-23(13-18)33-17-32-22/h7-14H,4-6,15-17H2,1-3H3,(H,27,31)