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

Systemtic Name: 4-(phenylsulfanylmethyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(phenylsulfanylmethyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-[(phenylthio)methyl]-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(phenylsulfanylmethyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-[(phenylthio)methyl]-N-[4-(pyrrolidinomethyl)benzyl]benzamide Formula: C26H28N2OS MolecularWeight: 416.57832

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2OS/c29-26(24-14-12-23(13-15-24)20-30-25-6-2-1-3-7-25)27-18-21-8-10-22(11-9-21)19-28-16-4-5-17-28/h1-3,6-15H,4-5,16-20H2,(H,27,29)