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

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-N-phenethyl-pyrrolidine-1-carbothioamide Openeye Name: 2-[2-(3,4-dihydroxyphenyl)ethyl]-N-phenethyl-pyrrolidine-1-carbothioamide CAS Name: 2-[2-(3,4-dihydroxyphenyl)ethyl]-N-phenethyl-1-pyrrolidinecarbothioamide IUPAC Name: 2-[2-(3,4-dihydroxyphenyl)ethyl]-N-phenethylpyrrolidine-1-carbothioamide Traditional Name: 2-[2-(3,4-dihydroxyphenyl)ethyl]-N-phenethyl-pyrrolidine-1-carbothioamide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NCCC2=CC=CC=C2)CCC3=CC(=C(C=C3)O)O

Isomeric SMILES

C1CC(N(C1)C(=S)NCCC2=CC=CC=C2)CCC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C21H26N2O2S/c24-19-11-9-17(15-20(19)25)8-10-18-7-4-14-23(18)21(26)22-13-12-16-5-2-1-3-6-16/h1-3,5-6,9,11,15,18,24-25H,4,7-8,10,12-14H2,(H,22,26)