N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-pentoxy-benzamide

Systemtic Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-pentoxy-benzamide Openeye Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-pentoxy-benzamide CAS Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-3-pentoxybenzamide IUPAC Name: N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-pentoxybenzamide Traditional Name: 3-amoxy-N-[2-(4-ethoxy-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]benzamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C(=O)NC2=CC(=NN2C3=NC4=C(C=CC=C4S3)OCC)C

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C(=O)NC2=CC(=NN2C3=NC4=C(C=CC=C4S3)OCC)C

InChI

InChI=1S/C25H28N4O3S/c1-4-6-7-14-32-19-11-8-10-18(16-19)24(30)26-22-15-17(3)28-29(22)25-27-23-20(31-5-2)12-9-13-21(23)33-25/h8-13,15-16H,4-7,14H2,1-3H3,(H,26,30)