2-methyl-5-[[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioylamino]benzene-1,3-disulfonic acid

Systemtic Name: 2-methyl-5-[[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioylamino]benzene-1,3-disulfonic acid Openeye Name: 2-methyl-5-[(3-methyl-1,1-dioxo-thiolan-3-yl)carbamothioylamino]benzene-1,3-disulfonic acid CAS Name: 2-methyl-5-[[[(3-methyl-1,1-dioxo-3-thiolanyl)amino]-sulfanylidenemethyl]amino]benzene-1,3-disulfonic acid IUPAC Name: 2-methyl-5-[(3-methyl-1,1-dioxothiolan-3-yl)carbamothioylamino]benzene-1,3-disulfonic acid Traditional Name: 5-[(1,1-diketo-3-methyl-thiolan-3-yl)thiocarbamoylamino]-2-methyl-benzene-1,3-disulfonic acid Formula: C13H18N2O8S4 MolecularWeight: 458.55062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)O)NC(=S)NC2(CCS(=O)(=O)C2)C)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)O)NC(=S)NC2(CCS(=O)(=O)C2)C)S(=O)(=O)O

InChI

InChI=1S/C13H18N2O8S4/c1-8-10(26(18,19)20)5-9(6-11(8)27(21,22)23)14-12(24)15-13(2)3-4-25(16,17)7-13/h5-6H,3-4,7H2,1-2H3,(H2,14,15,24)(H,18,19,20)(H,21,22,23)