4-(1,3-dithian-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(1,3-dithian-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(1,3-dithian-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(1,3-dithian-2-yl)-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(1,3-dithian-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(1,3-dithian-2-yl)-N-[2-(pyrrolidinomethyl)benzyl]benzamide Formula: C23H28N2OS2 MolecularWeight: 412.61122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)C4SCCCS4

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)C4SCCCS4

InChI

InChI=1S/C23H28N2OS2/c26-22(18-8-10-19(11-9-18)23-27-14-5-15-28-23)24-16-20-6-1-2-7-21(20)17-25-12-3-4-13-25/h1-2,6-11,23H,3-5,12-17H2,(H,24,26)