N-(4-ethoxyphenyl)-2-[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: 2-(2-benzylsulfanyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide CAS Name: N-(4-ethoxyphenyl)-2-[[6-methyl-2-(phenylmethylthio)-4-pyrimidinyl]thio]acetamide IUPAC Name: 2-(2-benzylsulfanyl-6-methylpyrimidin-4-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[[2-(benzylthio)-6-methyl-pyrimidin-4-yl]thio]-N-p-phenetyl-acetamide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC(=C2)C)SCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC(=C2)C)SCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O2S2/c1-3-27-19-11-9-18(10-12-19)24-20(26)15-28-21-13-16(2)23-22(25-21)29-14-17-7-5-4-6-8-17/h4-13H,3,14-15H2,1-2H3,(H,24,26)