N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propanamide Openeye Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]propanamide IUPAC Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-2-[(4,6-dimethylpyrimidin-2-yl)thio]propionamide Formula: C17H17BrN4O3S MolecularWeight: 437.31088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC(C)C(=O)NN=CC2=CC3=C(C=C2Br)OCO3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC(C)C(=O)N/N=C/C2=CC3=C(C=C2Br)OCO3)C

InChI

InChI=1S/C17H17BrN4O3S/c1-9-4-10(2)21-17(20-9)26-11(3)16(23)22-19-7-12-5-14-15(6-13(12)18)25-8-24-14/h4-7,11H,8H2,1-3H3,(H,22,23)/b19-7+