N-cyclohexyl-2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-cyclohexyl-2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-cyclohexyl-2-(6-methyl-2-phenacylsulfanyl-pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-cyclohexyl-2-[[6-methyl-2-(phenacylthio)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-cyclohexyl-2-(6-methyl-2-phenacylsulfanylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-cyclohexyl-2-[[6-methyl-2-(phenacylthio)pyrimidin-4-yl]thio]acetamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)C2=CC=CC=C2)SCC(=O)NC3CCCCC3

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)C2=CC=CC=C2)SCC(=O)NC3CCCCC3

InChI

InChI=1S/C21H25N3O2S2/c1-15-12-20(27-14-19(26)23-17-10-6-3-7-11-17)24-21(22-15)28-13-18(25)16-8-4-2-5-9-16/h2,4-5,8-9,12,17H,3,6-7,10-11,13-14H2,1H3,(H,23,26)