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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]oxy-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]oxy-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[3-[(4-chlorophenyl)thio]-2-pyrazinyl]oxy]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-chlorophenyl)sulfanylpyrazin-2-yl]oxybenzamide Traditional Name: 4-[3-[(4-chlorophenyl)thio]pyrazin-2-yl]oxy-N-piperonyl-benzamide Formula: C25H18ClN3O4S MolecularWeight: 491.94612

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)OC4=NC=CN=C4SC5=CC=C(C=C5)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)OC4=NC=CN=C4SC5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H18ClN3O4S/c26-18-4-8-20(9-5-18)34-25-24(27-11-12-28-25)33-19-6-2-17(3-7-19)23(30)29-14-16-1-10-21-22(13-16)32-15-31-21/h1-13H,14-15H2,(H,29,30)