N-(3,4-diethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide

Systemtic Name: N-(3,4-diethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide Openeye Name: N-(3,4-diethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide CAS Name: N-(3,4-diethoxyphenyl)-3-[(2-pyrazinylthio)methyl]benzamide IUPAC Name: N-(3,4-diethoxyphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide Traditional Name: N-(3,4-diethoxyphenyl)-3-[(pyrazin-2-ylthio)methyl]benzamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=CN=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)CSC3=NC=CN=C3)OCC

InChI

InChI=1S/C22H23N3O3S/c1-3-27-19-9-8-18(13-20(19)28-4-2)25-22(26)17-7-5-6-16(12-17)15-29-21-14-23-10-11-24-21/h5-14H,3-4,15H2,1-2H3,(H,25,26)