4-(1,3-dithiolan-2-yl)-N-[(2-phenylmethoxypyridin-4-yl)methyl]benzamide

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[(2-phenylmethoxypyridin-4-yl)methyl]benzamide Openeye Name: N-[(2-benzyloxy-4-pyridyl)methyl]-4-(1,3-dithiolan-2-yl)benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-[(2-phenylmethoxypyridin-4-yl)methyl]benzamide Traditional Name: N-[(2-benzoxy-4-pyridyl)methyl]-4-(1,3-dithiolan-2-yl)benzamide Formula: C23H22N2O2S2 MolecularWeight: 422.56298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)NCC3=CC(=NC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)NCC3=CC(=NC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O2S2/c26-22(19-6-8-20(9-7-19)23-28-12-13-29-23)25-15-18-10-11-24-21(14-18)27-16-17-4-2-1-3-5-17/h1-11,14,23H,12-13,15-16H2,(H,25,26)