N-tert-butyl-2-[4-[(5-propylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(5-propylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(5-propylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[5-(propylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(5-propylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[5-(propylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C16H31N5OS3+2 MolecularWeight: 405.64524

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN(C(=S)S1)C[NH+]2CC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CCCSC1=NN(C(=S)S1)C[NH+]2CC[NH+](CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C16H29N5OS3/c1-5-10-24-14-18-21(15(23)25-14)12-20-8-6-19(7-9-20)11-13(22)17-16(2,3)4/h5-12H2,1-4H3,(H,17,22)/p+2