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

Systemtic Name: 4-[(4-methylphenyl)sulfanylmethyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(p-tolylsulfanylmethyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-[[(4-methylphenyl)thio]methyl]-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-[(4-methylphenyl)sulfanylmethyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-[(p-tolylthio)methyl]-N-[4-(pyrrolidinomethyl)benzyl]benzamide Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN4CCCC4

InChI

InChI=1S/C27H30N2OS/c1-21-4-14-26(15-5-21)31-20-24-10-12-25(13-11-24)27(30)28-18-22-6-8-23(9-7-22)19-29-16-2-3-17-29/h4-15H,2-3,16-20H2,1H3,(H,28,30)