2-(4-tert-butylphenyl)sulfanyl-N-(3-chloranyl-2-pyrrolidin-1-yl-phenyl)ethanamide

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-N-(3-chloranyl-2-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-N-(3-chloro-2-pyrrolidin-1-yl-phenyl)acetamide CAS Name: 2-[(4-tert-butylphenyl)thio]-N-[3-chloro-2-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-N-(3-chloro-2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[(4-tert-butylphenyl)thio]-N-(3-chloro-2-pyrrolidino-phenyl)acetamide Formula: C22H27ClN2OS MolecularWeight: 402.98058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2=C(C(=CC=C2)Cl)N3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2=C(C(=CC=C2)Cl)N3CCCC3

InChI

InChI=1S/C22H27ClN2OS/c1-22(2,3)16-9-11-17(12-10-16)27-15-20(26)24-19-8-6-7-18(23)21(19)25-13-4-5-14-25/h6-12H,4-5,13-15H2,1-3H3,(H,24,26)