2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-ethoxy-4-prop-2-enoxy-phenyl)methylideneamino]propanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-ethoxy-4-prop-2-enoxy-phenyl)methylideneamino]propanamide Openeye Name: N-[(E)-(4-allyloxy-3-ethoxy-phenyl)methyleneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propanamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]propanamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]propanamide Traditional Name: N-[(E)-(4-allyloxy-3-ethoxy-benzylidene)amino]-2-[(4,6-dimethylpyrimidin-2-yl)thio]propionamide Formula: C21H26N4O3S MolecularWeight: 414.52114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)C(C)SC2=NC(=CC(=N2)C)C)OCC=C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(C)SC2=NC(=CC(=N2)C)C)OCC=C

InChI

InChI=1S/C21H26N4O3S/c1-6-10-28-18-9-8-17(12-19(18)27-7-2)13-22-25-20(26)16(5)29-21-23-14(3)11-15(4)24-21/h6,8-9,11-13,16H,1,7,10H2,2-5H3,(H,25,26)/b22-13+