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

Systemtic Name: ethyl 4-[[5-(propan-2-ylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C13H24N5O2S2+ MolecularWeight: 346.49196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CN2C(=S)SC(=N2)NC(C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CN2C(=S)SC(=N2)NC(C)C

InChI

InChI=1S/C13H23N5O2S2/c1-4-20-12(19)17-7-5-16(6-8-17)9-18-13(21)22-11(15-18)14-10(2)3/h10H,4-9H2,1-3H3,(H,14,15)/p+1