4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-5-methylhexan-2-ylideneamino]benzamide

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-5-methylhexan-2-ylideneamino]benzamide Openeye Name: N-[(E)-1,4-dimethylpentylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-[(E)-5-methylhexan-2-ylideneamino]benzamide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-5-methylhexan-2-ylideneamino]benzamide Traditional Name: N-[(E)-1,4-dimethylpentylideneamino]-4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=C(C)CCC(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N/N=C(\C)/CCC(C)C)C

InChI

InChI=1S/C21H28N4OS/c1-14(2)6-7-15(3)24-25-20(26)19-10-8-18(9-11-19)13-27-21-22-16(4)12-17(5)23-21/h8-12,14H,6-7,13H2,1-5H3,(H,25,26)/b24-15+