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N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-perimidin-2-ylsulfanyl)ethanamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-perimidin-2-ylsulfanyl)ethanamide

Systemtic Name:N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-perimidin-2-ylsulfanyl)ethanamide
Openeye Name:N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-perimidin-2-ylsulfanyl)acetamide
CAS Name:N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-perimidin-2-ylthio)acetamide
IUPAC Name:N-[(3,4-dimethoxyphenyl)methyl]-2-(1H-perimidin-2-ylsulfanyl)acetamide
Traditional Name:2-(1H-perimidin-2-ylthio)-N-veratryl-acetamide
Formula: C22H21N3O3S
MolecularWeight: 407.48544
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2)OC


Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2)OC


InChI

InChI=1S/C22H21N3O3S/c1-27-18-10-9-14(11-19(18)28-2)12-23-20(26)13-29-22-24-16-7-3-5-15-6-4-8-17(25-22)21(15)16/h3-11H,12-13H2,1-2H3,(H,23,26)(H,24,25)


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