N-[3-[1,3-benzodioxol-5-yl-(pyridin-2-ylamino)methyl]-4,5-dimethyl-thiophen-2-yl]benzamide

Systemtic Name: N-[3-[1,3-benzodioxol-5-yl-(pyridin-2-ylamino)methyl]-4,5-dimethyl-thiophen-2-yl]benzamide Openeye Name: N-[3-[1,3-benzodioxol-5-yl-(2-pyridylamino)methyl]-4,5-dimethyl-2-thienyl]benzamide CAS Name: N-[3-[1,3-benzodioxol-5-yl-(2-pyridinylamino)methyl]-4,5-dimethyl-2-thiophenyl]benzamide IUPAC Name: N-[3-[1,3-benzodioxol-5-yl-(pyridin-2-ylamino)methyl]-4,5-dimethylthiophen-2-yl]benzamide Traditional Name: N-[3-[1,3-benzodioxol-5-yl-(2-pyridylamino)methyl]-4,5-dimethyl-2-thienyl]benzamide Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=CC3=C(C=C2)OCO3)NC4=CC=CC=N4)NC(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC(=C1C(C2=CC3=C(C=C2)OCO3)NC4=CC=CC=N4)NC(=O)C5=CC=CC=C5)C

InChI

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