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

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

Systemtic Name:2-[3,4-bis(oxidanyl)phenyl]-N-phenethyl-pyrrolidine-1-carbothioamide
Openeye Name:2-(3,4-dihydroxyphenyl)-N-phenethyl-pyrrolidine-1-carbothioamide
CAS Name:2-(3,4-dihydroxyphenyl)-N-phenethyl-1-pyrrolidinecarbothioamide
IUPAC Name:2-(3,4-dihydroxyphenyl)-N-phenethylpyrrolidine-1-carbothioamide
Traditional Name:2-(3,4-dihydroxyphenyl)-N-phenethyl-pyrrolidine-1-carbothioamide
Formula: C19H22N2O2S
MolecularWeight: 342.45518
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C19H22N2O2S/c22-17-9-8-15(13-18(17)23)16-7-4-12-21(16)19(24)20-11-10-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,16,22-23H,4,7,10-12H2,(H,20,24)


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