N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-(methylsulfanylmethyl)benzamide

Systemtic Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-(methylsulfanylmethyl)benzamide Openeye Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-(methylsulfanylmethyl)benzamide CAS Name: N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-4-[(methylthio)methyl]benzamide IUPAC Name: N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(methylsulfanylmethyl)benzamide Traditional Name: N-[2-(3-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(=C1)C(CNC(=O)C2=CC=C(C=C2)CSC)N3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)C2=CC=C(C=C2)CSC)N3CCCC3

InChI

InChI=1S/C22H28N2O2S/c1-26-20-7-5-6-19(14-20)21(24-12-3-4-13-24)15-23-22(25)18-10-8-17(9-11-18)16-27-2/h5-11,14,21H,3-4,12-13,15-16H2,1-2H3,(H,23,25)