2-(3,4-dimethylphenyl)sulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[4-(pyrrolidinomethyl)benzyl]acetamide Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)NCC2=CC=C(C=C2)CN3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)NCC2=CC=C(C=C2)CN3CCCC3)C

InChI

InChI=1S/C22H28N2OS/c1-17-5-10-21(13-18(17)2)26-16-22(25)23-14-19-6-8-20(9-7-19)15-24-11-3-4-12-24/h5-10,13H,3-4,11-12,14-16H2,1-2H3,(H,23,25)