N-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[(3S)-1,1-dioxothiolan-3-yl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[(3S)-1,1-dioxo-3-thiolanyl]amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[(3S)-1,1-dioxothiolan-3-yl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[(3S)-1,1-diketothiolan-3-yl]thiocarbamoyl]-4-nitro-benzamide Formula: C12H13N3O5S2 MolecularWeight: 343.37872

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5S2/c16-11(8-1-3-10(4-2-8)15(17)18)14-12(21)13-9-5-6-22(19,20)7-9/h1-4,9H,5-7H2,(H2,13,14,16,21)/t9-/m0/s1