N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2,3,4-trimethoxy-benzamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2,3,4-trimethoxy-benzamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2,3,4-trimethoxy-benzamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-2,3,4-trimethoxybenzamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2,3,4-trimethoxybenzamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-2,3,4-trimethoxy-benzamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=C(C(=C(C=C3)OC)OC)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=C(C(=C(C=C3)OC)OC)OC)C

InChI

InChI=1S/C22H23N3O4S/c1-13-12-14(2)24-22(23-13)30-16-8-6-15(7-9-16)25-21(26)17-10-11-18(27-3)20(29-5)19(17)28-4/h6-12H,1-5H3,(H,25,26)