4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]benzenecarbothioamide

Systemtic Name: 4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-ethyl-amino]benzenecarbothioamide Openeye Name: 4-[[(3S)-1,1-dioxothiolan-3-yl]-ethyl-amino]benzenecarbothioamide CAS Name: 4-[[(3S)-1,1-dioxo-3-thiolanyl]-ethylamino]benzenecarbothioamide IUPAC Name: 4-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]benzenecarbothioamide Traditional Name: 4-[[(3S)-1,1-diketothiolan-3-yl]-ethyl-amino]thiobenzamide Formula: C13H18N2O2S2 MolecularWeight: 298.42422

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCS(=O)(=O)C1)C2=CC=C(C=C2)C(=S)N

Isomeric SMILES

CCN([C@H]1CCS(=O)(=O)C1)C2=CC=C(C=C2)C(=S)N

InChI

InChI=1S/C13H18N2O2S2/c1-2-15(12-7-8-19(16,17)9-12)11-5-3-10(4-6-11)13(14)18/h3-6,12H,2,7-9H2,1H3,(H2,14,18)/t12-/m0/s1