3-[6-(1,3-benzothiazol-6-ylamino)pyridazin-3-yl]-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-benzamide

Systemtic Name: 3-[6-(1,3-benzothiazol-6-ylamino)pyridazin-3-yl]-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-benzamide Openeye Name: 3-[6-(1,3-benzothiazol-6-ylamino)pyridazin-3-yl]-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-benzamide CAS Name: 3-[6-(1,3-benzothiazol-6-ylamino)-3-pyridazinyl]-N-(1,3-dioxolan-2-ylmethyl)-N-methylbenzamide IUPAC Name: 3-[6-(1,3-benzothiazol-6-ylamino)pyridazin-3-yl]-N-(1,3-dioxolan-2-ylmethyl)-N-methylbenzamide Traditional Name: 3-[6-(1,3-benzothiazol-6-ylamino)pyridazin-3-yl]-N-(1,3-dioxolan-2-ylmethyl)-N-methyl-benzamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1OCCO1)C(=O)C2=CC=CC(=C2)C3=NN=C(C=C3)NC4=CC5=C(C=C4)N=CS5

Isomeric SMILES

CN(CC1OCCO1)C(=O)C2=CC=CC(=C2)C3=NN=C(C=C3)NC4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C23H21N5O3S/c1-28(13-22-30-9-10-31-22)23(29)16-4-2-3-15(11-16)18-7-8-21(27-26-18)25-17-5-6-19-20(12-17)32-14-24-19/h2-8,11-12,14,22H,9-10,13H2,1H3,(H,25,27)