2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(3,5-dimethylphenyl)methylthio]-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(3,5-dimethylbenzyl)thio]-N-[4-(pyrrolidinomethyl)benzyl]acetamide Formula: C23H30N2OS MolecularWeight: 382.5621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2OS/c1-18-11-19(2)13-22(12-18)16-27-17-23(26)24-14-20-5-7-21(8-6-20)15-25-9-3-4-10-25/h5-8,11-13H,3-4,9-10,14-17H2,1-2H3,(H,24,26)