N-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-carbamothioyl]-2-bromanyl-benzamide

Systemtic Name: N-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-carbamothioyl]-2-bromanyl-benzamide Openeye Name: 2-bromo-N-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[(3S)-1,1-dioxo-3-thiolanyl]-methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[(3S)-1,1-dioxothiolan-3-yl]-methylcarbamothioyl]benzamide Traditional Name: 2-bromo-N-[[(3S)-1,1-diketothiolan-3-yl]-methyl-thiocarbamoyl]benzamide Formula: C13H15BrN2O3S2 MolecularWeight: 391.3038

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=S)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=S)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C13H15BrN2O3S2/c1-16(9-6-7-21(18,19)8-9)13(20)15-12(17)10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3,(H,15,17,20)/t9-/m0/s1