3-nitro-4-pyrrolidin-1-yl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 3-nitro-4-pyrrolidin-1-yl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide Openeye Name: 3-nitro-4-pyrrolidin-1-yl-N-[2-(2-thienylmethylsulfanyl)ethyl]benzamide CAS Name: 3-nitro-4-(1-pyrrolidinyl)-N-[2-(thiophen-2-ylmethylthio)ethyl]benzamide IUPAC Name: 3-nitro-4-pyrrolidin-1-yl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide Traditional Name: 3-nitro-4-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)C(=O)NCCSCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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