N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-(methylsulfanylmethyl)benzamide

Systemtic Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-(methylsulfanylmethyl)benzamide Openeye Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-(methylsulfanylmethyl)benzamide CAS Name: N-[2-(2-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-4-[(methylthio)methyl]benzamide IUPAC Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(methylsulfanylmethyl)benzamide Traditional Name: N-[2-(2-methoxyphenyl)-2-pyrrolidino-ethyl]-4-[(methylthio)methyl]benzamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2=CC=C(C=C2)CSC)N3CCCC3

Isomeric SMILES

COC1=CC=CC=C1C(CNC(=O)C2=CC=C(C=C2)CSC)N3CCCC3

InChI

InChI=1S/C22H28N2O2S/c1-26-21-8-4-3-7-19(21)20(24-13-5-6-14-24)15-23-22(25)18-11-9-17(10-12-18)16-27-2/h3-4,7-12,20H,5-6,13-16H2,1-2H3,(H,23,25)