3-nitro-N-[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]benzamide

Systemtic Name: 3-nitro-N-[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]benzamide Openeye Name: 3-nitro-N-[2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl]benzamide CAS Name: 3-nitro-N-[2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl]benzamide IUPAC Name: 3-nitro-N-[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl]benzamide Traditional Name: N-[2-keto-2-[2-(2-thenylthio)ethylamino]ethyl]-3-nitro-benzamide Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(=O)NCCSCC2=CC=CS2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC(=O)NCCSCC2=CC=CS2

InChI

InChI=1S/C16H17N3O4S2/c20-15(17-6-8-24-11-14-5-2-7-25-14)10-18-16(21)12-3-1-4-13(9-12)19(22)23/h1-5,7,9H,6,8,10-11H2,(H,17,20)(H,18,21)