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

Systemtic Name: 2-methyl-4-[2-[(3-methyl-3-sulfo-butyl)carbamothioylamino]ethylcarbamothioylamino]butane-2-sulfonic acid Openeye Name: 2-methyl-4-[2-[(3-methyl-3-sulfo-butyl)carbamothioylamino]ethylcarbamothioylamino]butane-2-sulfonic acid CAS Name: 2-methyl-4-[[[2-[[[(3-methyl-3-sulfobutyl)amino]-sulfanylidenemethyl]amino]ethylamino]-sulfanylidenemethyl]amino]-2-butanesulfonic acid IUPAC Name: 2-methyl-4-[2-[(3-methyl-3-sulfobutyl)carbamothioylamino]ethylcarbamothioylamino]butane-2-sulfonic acid Traditional Name: 2-methyl-4-[2-[(3-methyl-3-sulfo-butyl)thiocarbamoylamino]ethylthiocarbamoylamino]butane-2-sulfonic acid Formula: C14H30N4O6S4 MolecularWeight: 478.6712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H30N4O6S4/c1-13(2,27(19,20)21)5-7-15-11(25)17-9-10-18-12(26)16-8-6-14(3,4)28(22,23)24/h5-10H2,1-4H3,(H2,15,17,25)(H2,16,18,26)(H,19,20,21)(H,22,23,24)