N-[(3-acetamido-2,4-dimethyl-phenyl)methyl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3-acetamido-2,4-dimethyl-phenyl)methyl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(3-acetamido-2,4-dimethyl-phenyl)methyl]-2-(4-methylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-[(4-methyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[(3-acetamido-2,4-dimethylphenyl)methyl]-2-(4-methylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-acetamido-2,4-dimethyl-benzyl)-2-[(4-methylpyrimidin-2-yl)thio]acetamide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)CNC(=O)CSC2=NC=CC(=N2)C)C)NC(=O)C

Isomeric SMILES

CC1=C(C(=C(C=C1)CNC(=O)CSC2=NC=CC(=N2)C)C)NC(=O)C

InChI

InChI=1S/C18H22N4O2S/c1-11-5-6-15(13(3)17(11)22-14(4)23)9-20-16(24)10-25-18-19-8-7-12(2)21-18/h5-8H,9-10H2,1-4H3,(H,20,24)(H,22,23)