N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]benzamide IUPAC Name: N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethyleneamino]-4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzamide Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=CC3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N/N=C/C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C23H22N4O3S/c1-15-11-16(2)26-23(25-15)31-14-17-3-6-19(7-4-17)22(28)27-24-13-18-5-8-20-21(12-18)30-10-9-29-20/h3-8,11-13H,9-10,14H2,1-2H3,(H,27,28)/b24-13+