2-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-N-phenethyl-pyrrolidine-1-carbothioamide

Systemtic Name: 2-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]-N-phenethyl-pyrrolidine-1-carbothioamide Openeye Name: 2-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]-N-phenethyl-pyrrolidine-1-carbothioamide CAS Name: 2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-phenethyl-1-pyrrolidinecarbothioamide IUPAC Name: 2-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-N-phenethylpyrrolidine-1-carbothioamide Traditional Name: 2-homovanillyl-N-phenethyl-pyrrolidine-1-carbothioamide Formula: C22H28N2O2S MolecularWeight: 384.53492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC2CCCN2C(=S)NCCC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CCC2CCCN2C(=S)NCCC3=CC=CC=C3)O

InChI

InChI=1S/C22H28N2O2S/c1-26-21-16-18(10-12-20(21)25)9-11-19-8-5-15-24(19)22(27)23-14-13-17-6-3-2-4-7-17/h2-4,6-7,10,12,16,19,25H,5,8-9,11,13-15H2,1H3,(H,23,27)