1-(methylamino)-4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: 1-(methylamino)-4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: 4-[(5-isobutyl-1,3,4-thiadiazol-2-yl)amino]-1-(methylamino)-1,4-dioxo-butane-2-sulfonic acid CAS Name: 1-(methylamino)-4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1,4-dioxo-2-butanesulfonic acid IUPAC Name: 1-(methylamino)-4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]-1,4-dioxobutane-2-sulfonic acid Traditional Name: 4-[(5-isobutyl-1,3,4-thiadiazol-2-yl)amino]-1,4-diketo-1-(methylamino)butane-2-sulfonic acid Formula: C11H18N4O5S2 MolecularWeight: 350.41442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(S1)NC(=O)CC(C(=O)NC)S(=O)(=O)O

Isomeric SMILES

CC(C)CC1=NN=C(S1)NC(=O)CC(C(=O)NC)S(=O)(=O)O

InChI

InChI=1S/C11H18N4O5S2/c1-6(2)4-9-14-15-11(21-9)13-8(16)5-7(10(17)12-3)22(18,19)20/h6-7H,4-5H2,1-3H3,(H,12,17)(H,13,15,16)(H,18,19,20)