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

Systemtic Name: N-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioyl]-4-bromanyl-benzamide Openeye Name: 4-bromo-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[[(3S)-1,1-dioxo-3-thiolanyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[(3S)-1,1-diketothiolan-3-yl]thiocarbamoyl]benzamide Formula: C12H13BrN2O3S2 MolecularWeight: 377.27722

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=S)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=S)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C12H13BrN2O3S2/c13-9-3-1-8(2-4-9)11(16)15-12(19)14-10-5-6-20(17,18)7-10/h1-4,10H,5-7H2,(H2,14,15,16,19)/t10-/m0/s1