N-(2-adamantylideneamino)-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(2-adamantylideneamino)-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-(2-adamantylideneamino)-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(2-adamantylideneamino)-4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide IUPAC Name: N-(2-adamantylideneamino)-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(2-adamantylideneamino)-4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzamide Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=C3C4CC5CC(C4)CC3C5)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=C3C4CC5CC(C4)CC3C5)C

InChI

InChI=1S/C24H28N4OS/c1-14-7-15(2)26-24(25-14)30-13-16-3-5-19(6-4-16)23(29)28-27-22-20-9-17-8-18(11-20)12-21(22)10-17/h3-7,17-18,20-21H,8-13H2,1-2H3,(H,28,29)