N'-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanediamide

Systemtic Name: N'-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanediamide Openeye Name: N'-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-N-[2-(3-thienylmethylsulfanyl)ethyl]oxamide CAS Name: N'-[3-(1-pyrrolidin-1-iumylmethyl)phenyl]-N-[2-(3-thiophenylmethylthio)ethyl]oxamide IUPAC Name: N'-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]oxamide Traditional Name: N'-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-N-[2-(3-thenylthio)ethyl]oxamide Formula: C20H26N3O2S2+ MolecularWeight: 404.56934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC(=CC=C2)NC(=O)C(=O)NCCSCC3=CSC=C3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC(=CC=C2)NC(=O)C(=O)NCCSCC3=CSC=C3

InChI

InChI=1S/C20H25N3O2S2/c24-19(21-7-11-27-15-17-6-10-26-14-17)20(25)22-18-5-3-4-16(12-18)13-23-8-1-2-9-23/h3-6,10,12,14H,1-2,7-9,11,13,15H2,(H,21,24)(H,22,25)/p+1