3-azanyl-4-oxidanylidene-3-(3-phenylpropyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide

Systemtic Name: 3-azanyl-4-oxidanylidene-3-(3-phenylpropyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Openeye Name: 3-amino-4-oxo-3-(3-phenylpropyl)-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide CAS Name: 3-amino-4-oxo-3-(3-phenylpropyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-2-piperazin-4-iumcarboxamide IUPAC Name: 3-amino-4-oxo-3-(3-phenylpropyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Traditional Name: 3-amino-4-keto-3-(3-phenylpropyl)-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Formula: C16H21N6O2S2+ MolecularWeight: 393.50694

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=O)C(C(N1)C(=O)NC2=NNC(=S)S2)(CCCC3=CC=CC=C3)N

Isomeric SMILES

C1C[N+](=O)C(C(N1)C(=O)NC2=NNC(=S)S2)(CCCC3=CC=CC=C3)N

InChI

InChI=1S/C16H20N6O2S2/c17-16(8-4-7-11-5-2-1-3-6-11)12(18-9-10-22(16)24)13(23)19-14-20-21-15(25)26-14/h1-3,5-6,12,18H,4,7-10,17H2,(H-,19,20,21,23,25)/p+1