N-(4-methoxyphenyl)-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]propanamide

Systemtic Name: N-(4-methoxyphenyl)-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]propanamide Openeye Name: N-(4-methoxyphenyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide CAS Name: N-(4-methoxyphenyl)-2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]propanamide IUPAC Name: N-(4-methoxyphenyl)-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide Traditional Name: N-(4-methoxyphenyl)-2-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]propionamide Formula: C22H26N2O3S MolecularWeight: 398.51844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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