5-nitro-2-pyrrolidin-1-yl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 5-nitro-2-pyrrolidin-1-yl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide Openeye Name: 5-nitro-2-pyrrolidin-1-yl-N-[2-(2-thienylmethylsulfanyl)ethyl]benzamide CAS Name: 5-nitro-2-(1-pyrrolidinyl)-N-[2-(thiophen-2-ylmethylthio)ethyl]benzamide IUPAC Name: 5-nitro-2-pyrrolidin-1-yl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide Traditional Name: 5-nitro-2-pyrrolidino-N-[2-(2-thenylthio)ethyl]benzamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCSCC3=CC=CS3

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCSCC3=CC=CS3

InChI

InChI=1S/C18H21N3O3S2/c22-18(19-7-11-25-13-15-4-3-10-26-15)16-12-14(21(23)24)5-6-17(16)20-8-1-2-9-20/h3-6,10,12H,1-2,7-9,11,13H2,(H,19,22)