4-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)-2-sulfanyl-benzamide

Systemtic Name: 4-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)-2-sulfanyl-benzamide Openeye Name: N-(1,1-dimethylpropyl)-4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanyl-benzamide CAS Name: 4-(4,6-dimethyl-2-pyrimidinyl)-2-mercapto-N-(2-methylbutan-2-yl)benzamide IUPAC Name: 4-(4,6-dimethylpyrimidin-2-yl)-N-(2-methylbutan-2-yl)-2-sulfanylbenzamide Traditional Name: N-tert-amyl-4-(4,6-dimethylpyrimidin-2-yl)-2-mercapto-benzamide Formula: C18H23N3OS MolecularWeight: 329.45972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C1=C(C=C(C=C1)C2=NC(=CC(=N2)C)C)S

Isomeric SMILES

CCC(C)(C)NC(=O)C1=C(C=C(C=C1)C2=NC(=CC(=N2)C)C)S

InChI

InChI=1S/C18H23N3OS/c1-6-18(4,5)21-17(22)14-8-7-13(10-15(14)23)16-19-11(2)9-12(3)20-16/h7-10,23H,6H2,1-5H3,(H,21,22)