N-(2,5-dimethoxyphenyl)-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]propanamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]propanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]propanamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]propionamide Formula: C23H28N2O4S MolecularWeight: 428.54442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)SCC2=CC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)SCC2=CC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C23H28N2O4S/c1-16(22(26)24-20-14-19(28-2)10-11-21(20)29-3)30-15-17-6-8-18(9-7-17)23(27)25-12-4-5-13-25/h6-11,14,16H,4-5,12-13,15H2,1-3H3,(H,24,26)