2-methyl-5-[(4-methyl-4-sulfo-pentyl)carbamothioylamino]pentane-2-sulfonic acid

Systemtic Name: 2-methyl-5-[(4-methyl-4-sulfo-pentyl)carbamothioylamino]pentane-2-sulfonic acid Openeye Name: 2-methyl-5-[(4-methyl-4-sulfo-pentyl)carbamothioylamino]pentane-2-sulfonic acid CAS Name: 2-methyl-5-[[[(4-methyl-4-sulfopentyl)amino]-sulfanylidenemethyl]amino]-2-pentanesulfonic acid IUPAC Name: 2-methyl-5-[(4-methyl-4-sulfopentyl)carbamothioylamino]pentane-2-sulfonic acid Traditional Name: 2-methyl-5-[(4-methyl-4-sulfo-pentyl)thiocarbamoylamino]pentane-2-sulfonic acid Formula: C13H28N2O6S3 MolecularWeight: 404.56622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCNC(=S)NCCCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)(CCCNC(=S)NCCCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H28N2O6S3/c1-12(2,23(16,17)18)7-5-9-14-11(22)15-10-6-8-13(3,4)24(19,20)21/h5-10H2,1-4H3,(H2,14,15,22)(H,16,17,18)(H,19,20,21)