N-[4-(phenylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[4-(phenylmethylsulfanyl)phenyl]pyrrolidine-2-carboxamide Openeye Name: N-(4-benzylsulfanylphenyl)pyrrolidine-2-carboxamide CAS Name: N-[4-(phenylmethylthio)phenyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(4-benzylsulfanylphenyl)pyrrolidine-2-carboxamide Traditional Name: N-[4-(benzylthio)phenyl]pyrrolidine-2-carboxamide Formula: C18H20N2OS MolecularWeight: 312.4292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)NC2=CC=C(C=C2)SCC3=CC=CC=C3

Isomeric SMILES

C1CC(NC1)C(=O)NC2=CC=C(C=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C18H20N2OS/c21-18(17-7-4-12-19-17)20-15-8-10-16(11-9-15)22-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17,19H,4,7,12-13H2,(H,20,21)