2-(4-ethoxyphenyl)sulfanyl-N-[(3-pyrrolidin-1-ylcarbonylphenyl)methyl]ethanamide

Systemtic Name: 2-(4-ethoxyphenyl)sulfanyl-N-[(3-pyrrolidin-1-ylcarbonylphenyl)methyl]ethanamide Openeye Name: 2-(4-ethoxyphenyl)sulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide CAS Name: 2-[(4-ethoxyphenyl)thio]-N-[[3-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]acetamide IUPAC Name: 2-(4-ethoxyphenyl)sulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide Traditional Name: 2-(p-phenetylthio)-N-[3-(pyrrolidine-1-carbonyl)benzyl]acetamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)NCC2=CC=CC(=C2)C(=O)N3CCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)NCC2=CC=CC(=C2)C(=O)N3CCCC3

InChI

InChI=1S/C22H26N2O3S/c1-2-27-19-8-10-20(11-9-19)28-16-21(25)23-15-17-6-5-7-18(14-17)22(26)24-12-3-4-13-24/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,23,25)