4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(3-oxidanylidenecyclohexylidene)amino]benzamide

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(3-oxidanylidenecyclohexylidene)amino]benzamide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(3-oxocyclohexylidene)amino]benzamide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-[(E)-(3-oxocyclohexylidene)amino]benzamide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(3-oxocyclohexylidene)amino]benzamide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N-[(E)-(3-ketocyclohexylidene)amino]benzamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=C3CCCC(=O)C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N/N=C/3\CCCC(=O)C3)C

InChI

InChI=1S/C20H22N4O2S/c1-13-10-14(2)22-20(21-13)27-12-15-6-8-16(9-7-15)19(26)24-23-17-4-3-5-18(25)11-17/h6-10H,3-5,11-12H2,1-2H3,(H,24,26)/b23-17+