N-[6-[2-(3-phenylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]ethanamide

Systemtic Name: N-[6-[2-(3-phenylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]ethanamide Openeye Name: N-[6-[2-(3-phenylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide CAS Name: N-[6-[2-(3-phenylpropoxy)-4-pyrimidinyl]-1,3-benzothiazol-2-yl]acetamide IUPAC Name: N-[6-[2-(3-phenylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide Traditional Name: N-[6-[2-(3-phenylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=NC(=NC=C3)OCCCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=NC(=NC=C3)OCCCC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-15(27)24-22-26-19-10-9-17(14-20(19)29-22)18-11-12-23-21(25-18)28-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,24,26,27)