N-[(E)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(E)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(E)-2,3-dihydro-1,4-benzodioxin-5-ylmethyleneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(E)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[(E)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[(E)-2,3-dihydro-1,4-benzodioxin-5-ylmethyleneamino]-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NN=CC2=C3C(=CC=C2)OCCO3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N/N=C/C2=C3C(=CC=C2)OCCO3)C

InChI

InChI=1S/C17H18N4O3S/c1-11-8-12(2)20-17(19-11)25-10-15(22)21-18-9-13-4-3-5-14-16(13)24-7-6-23-14/h3-5,8-9H,6-7,10H2,1-2H3,(H,21,22)/b18-9+