3-chloranyl-N-[[(4,6-dimethylpyrimidin-2-yl)amino]-[(2-propoxyphenyl)amino]methylidene]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[(4,6-dimethylpyrimidin-2-yl)amino]-[(2-propoxyphenyl)amino]methylidene]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[(4,6-dimethylpyrimidin-2-yl)amino]-(2-propoxyanilino)methylene]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[(4,6-dimethyl-2-pyrimidinyl)amino]-(2-propoxyanilino)methylidene]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[(4,6-dimethylpyrimidin-2-yl)amino]-(2-propoxyanilino)methylidene]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[(4,6-dimethylpyrimidin-2-yl)amino]-(2-propoxyanilino)methylene]benzothiophene-2-carboxamide Formula: C25H24ClN5O2S MolecularWeight: 494.00836

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1NC(=NC(=O)C2=C(C3=CC=CC=C3S2)Cl)NC4=NC(=CC(=N4)C)C

Isomeric SMILES

CCCOC1=CC=CC=C1NC(=NC(=O)C2=C(C3=CC=CC=C3S2)Cl)NC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C25H24ClN5O2S/c1-4-13-33-19-11-7-6-10-18(19)29-25(31-24-27-15(2)14-16(3)28-24)30-23(32)22-21(26)17-9-5-8-12-20(17)34-22/h5-12,14H,4,13H2,1-3H3,(H2,27,28,29,30,31,32)