N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxy-benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxy-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiomorpholinopyrazin-2-yl)oxy-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(3-thiomorpholin-4-yl-2-pyrazinyl)oxy]benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-thiomorpholin-4-ylpyrazin-2-yl)oxybenzamide Traditional Name: N-homoveratryl-4-(3-thiomorpholinopyrazin-2-yl)oxy-benzamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)OC3=NC=CN=C3N4CCSCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)OC3=NC=CN=C3N4CCSCC4)OC

InChI

InChI=1S/C25H28N4O4S/c1-31-21-8-3-18(17-22(21)32-2)9-10-27-24(30)19-4-6-20(7-5-19)33-25-23(26-11-12-28-25)29-13-15-34-16-14-29/h3-8,11-12,17H,9-10,13-16H2,1-2H3,(H,27,30)