4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperazine-1-carboxamide

Systemtic Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperazine-1-carboxamide Openeye Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[2-(2-thienylmethylsulfanyl)ethyl]piperazine-1-carboxamide CAS Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[2-(thiophen-2-ylmethylthio)ethyl]-1-piperazinecarboxamide IUPAC Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperazine-1-carboxamide Traditional Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-[2-(2-thenylthio)ethyl]piperazine-1-carboxamide Formula: C19H21F3N4O3S2 MolecularWeight: 474.52025

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)NCCSCC3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)NCCSCC3=CC=CS3

InChI

InChI=1S/C19H21F3N4O3S2/c20-19(21,22)14-3-4-16(17(12-14)26(28)29)24-6-8-25(9-7-24)18(27)23-5-11-30-13-15-2-1-10-31-15/h1-4,10,12H,5-9,11,13H2,(H,23,27)