4-nitro-N-[(2-oxidanylidenethiolan-3-yl)carbamothioyl]benzamide

Systemtic Name: 4-nitro-N-[(2-oxidanylidenethiolan-3-yl)carbamothioyl]benzamide Openeye Name: 4-nitro-N-[(2-oxotetrahydrothiophen-3-yl)carbamothioyl]benzamide CAS Name: 4-nitro-N-[[(2-oxo-3-thiolanyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-nitro-N-[(2-oxothiolan-3-yl)carbamothioyl]benzamide Traditional Name: N-[(2-ketotetrahydrothiophen-3-yl)thiocarbamoyl]-4-nitro-benzamide Formula: C12H11N3O4S2 MolecularWeight: 325.36344

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=O)C1NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CSC(=O)C1NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O4S2/c16-10(7-1-3-8(4-2-7)15(18)19)14-12(20)13-9-5-6-21-11(9)17/h1-4,9H,5-6H2,(H2,13,14,16,20)