4-[(4-chlorophenyl)sulfanylmethyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-[[(4-chlorophenyl)thio]methyl]-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-[(4-chlorophenyl)sulfanylmethyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]-N-[4-(pyrrolidinomethyl)benzyl]benzamide Formula: C26H27ClN2OS MolecularWeight: 451.02338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)CSC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN2OS/c27-24-11-13-25(14-12-24)31-19-22-7-9-23(10-8-22)26(30)28-17-20-3-5-21(6-4-20)18-29-15-1-2-16-29/h3-14H,1-2,15-19H2,(H,28,30)