tert-butyl 4-[[5-(propan-2-ylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-(propan-2-ylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[[5-(isopropylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[5-(propan-2-ylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(propan-2-ylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[5-(isopropylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C15H28N5O2S2+ MolecularWeight: 374.54512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)NC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C15H27N5O2S2/c1-11(2)16-12-17-20(14(23)24-12)10-18-6-8-19(9-7-18)13(21)22-15(3,4)5/h11H,6-10H2,1-5H3,(H,16,17)/p+1