N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]oxy-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]oxy-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(p-tolylsulfanyl)pyrazin-2-yl]oxy-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[3-[(4-methylphenyl)thio]-2-pyrazinyl]oxy]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]oxybenzamide Traditional Name: N-piperonyl-4-[3-(p-tolylthio)pyrazin-2-yl]oxy-benzamide Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=CN=C2OC3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=CN=C2OC3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21N3O4S/c1-17-2-9-21(10-3-17)34-26-25(27-12-13-28-26)33-20-7-5-19(6-8-20)24(30)29-15-18-4-11-22-23(14-18)32-16-31-22/h2-14H,15-16H2,1H3,(H,29,30)