4-(1,3-dithiolan-2-yl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzamide

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-[(6-pyrrolidin-1-yl-3-pyridyl)methyl]benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[[6-(1-pyrrolidinyl)-3-pyridinyl]methyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-[(6-pyrrolidino-3-pyridyl)methyl]benzamide Formula: C20H23N3OS2 MolecularWeight: 385.54612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CCN(C1)C2=NC=C(C=C2)CNC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C20H23N3OS2/c24-19(16-4-6-17(7-5-16)20-25-11-12-26-20)22-14-15-3-8-18(21-13-15)23-9-1-2-10-23/h3-8,13,20H,1-2,9-12,14H2,(H,22,24)