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

Systemtic Name: N-[3-[1,3-benzodioxol-5-yl-(pyridin-2-ylamino)methyl]-5-methyl-thiophen-2-yl]benzamide Openeye Name: N-[3-[1,3-benzodioxol-5-yl-(2-pyridylamino)methyl]-5-methyl-2-thienyl]benzamide CAS Name: N-[3-[1,3-benzodioxol-5-yl-(2-pyridinylamino)methyl]-5-methyl-2-thiophenyl]benzamide IUPAC Name: N-[3-[1,3-benzodioxol-5-yl-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]benzamide Traditional Name: N-[3-[1,3-benzodioxol-5-yl-(2-pyridylamino)methyl]-5-methyl-2-thienyl]benzamide Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC4=C(C=C3)OCO4)NC5=CC=CC=N5

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C(C3=CC4=C(C=C3)OCO4)NC5=CC=CC=N5

InChI

InChI=1S/C25H21N3O3S/c1-16-13-19(25(32-16)28-24(29)17-7-3-2-4-8-17)23(27-22-9-5-6-12-26-22)18-10-11-20-21(14-18)31-15-30-20/h2-14,23H,15H2,1H3,(H,26,27)(H,28,29)