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

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-ethoxy-4-methoxy-benzamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-ethoxy-4-methoxy-benzamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-3-ethoxy-4-methoxybenzamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-ethoxy-4-methoxybenzamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-3-ethoxy-4-methoxy-benzamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C)OC

InChI

InChI=1S/C22H23N3O3S/c1-5-28-20-13-16(6-11-19(20)27-4)21(26)25-17-7-9-18(10-8-17)29-22-23-14(2)12-15(3)24-22/h6-13H,5H2,1-4H3,(H,25,26)