N-[3-[1,3-benzodioxol-5-yl-(pyridin-2-ylamino)methyl]-5-ethyl-thiophen-2-yl]benzamide

Systemtic Name: N-[3-[1,3-benzodioxol-5-yl-(pyridin-2-ylamino)methyl]-5-ethyl-thiophen-2-yl]benzamide Openeye Name: N-[3-[1,3-benzodioxol-5-yl-(2-pyridylamino)methyl]-5-ethyl-2-thienyl]benzamide CAS Name: N-[3-[1,3-benzodioxol-5-yl-(2-pyridinylamino)methyl]-5-ethyl-2-thiophenyl]benzamide IUPAC Name: N-[3-[1,3-benzodioxol-5-yl-(pyridin-2-ylamino)methyl]-5-ethylthiophen-2-yl]benzamide Traditional Name: N-[3-[1,3-benzodioxol-5-yl-(2-pyridylamino)methyl]-5-ethyl-2-thienyl]benzamide Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC4=C(C=C3)OCO4)NC5=CC=CC=N5

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC4=C(C=C3)OCO4)NC5=CC=CC=N5

InChI

InChI=1S/C26H23N3O3S/c1-2-19-15-20(26(33-19)29-25(30)17-8-4-3-5-9-17)24(28-23-10-6-7-13-27-23)18-11-12-21-22(14-18)32-16-31-21/h3-15,24H,2,16H2,1H3,(H,27,28)(H,29,30)