2-methyl-4-[3-[(3-methyl-3-sulfo-butyl)carbamothioylamino]propylcarbamothioylamino]butane-2-sulfonic acid

Systemtic Name: 2-methyl-4-[3-[(3-methyl-3-sulfo-butyl)carbamothioylamino]propylcarbamothioylamino]butane-2-sulfonic acid Openeye Name: 2-methyl-4-[3-[(3-methyl-3-sulfo-butyl)carbamothioylamino]propylcarbamothioylamino]butane-2-sulfonic acid CAS Name: 2-methyl-4-[[[3-[[[(3-methyl-3-sulfobutyl)amino]-sulfanylidenemethyl]amino]propylamino]-sulfanylidenemethyl]amino]-2-butanesulfonic acid IUPAC Name: 2-methyl-4-[3-[(3-methyl-3-sulfobutyl)carbamothioylamino]propylcarbamothioylamino]butane-2-sulfonic acid Traditional Name: 2-methyl-4-[3-[(3-methyl-3-sulfo-butyl)thiocarbamoylamino]propylthiocarbamoylamino]butane-2-sulfonic acid Formula: C15H32N4O6S4 MolecularWeight: 492.69778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCNC(=S)NCCCNC(=S)NCCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)(CCNC(=S)NCCCNC(=S)NCCC(C)(C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H32N4O6S4/c1-14(2,28(20,21)22)6-10-18-12(26)16-8-5-9-17-13(27)19-11-7-15(3,4)29(23,24)25/h5-11H2,1-4H3,(H2,16,18,26)(H2,17,19,27)(H,20,21,22)(H,23,24,25)