2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-pyrrolidin-1-ylcarbonylphenyl)propanamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-pyrrolidin-1-ylcarbonylphenyl)propanamide Openeye Name: 2-(3,4-dimethoxyphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide CAS Name: 2-[(3,4-dimethoxyphenyl)thio]-N-[2-[oxo(1-pyrrolidinyl)methyl]phenyl]propanamide IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide Traditional Name: 2-[(3,4-dimethoxyphenyl)thio]-N-[2-(pyrrolidine-1-carbonyl)phenyl]propionamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)N2CCCC2)SC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)N2CCCC2)SC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H26N2O4S/c1-15(29-16-10-11-19(27-2)20(14-16)28-3)21(25)23-18-9-5-4-8-17(18)22(26)24-12-6-7-13-24/h4-5,8-11,14-15H,6-7,12-13H2,1-3H3,(H,23,25)