2-(4-bromophenyl)sulfanyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]ethanamide

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]ethanamide Openeye Name: 2-(4-bromophenyl)sulfanyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]acetamide CAS Name: 2-[(4-bromophenyl)thio]-N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]acetamide IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide Traditional Name: 2-[(4-bromophenyl)thio]-N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]acetamide Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)CSC2=CC=C(C=C2)Br)N3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)CSC2=CC=C(C=C2)Br)N3CCCC3

InChI

InChI=1S/C21H25BrN2O2S/c1-26-18-6-4-5-16(13-18)20(24-11-2-3-12-24)14-23-21(25)15-27-19-9-7-17(22)8-10-19/h4-10,13,20H,2-3,11-12,14-15H2,1H3,(H,23,25)