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

Systemtic Name: 2-azanyl-1-oxidanylidene-2-(3-phenylpropyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyrrolidin-1-ium-3-carboxamide Openeye Name: 2-amino-1-oxo-2-(3-phenylpropyl)-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)pyrrolidin-1-ium-3-carboxamide CAS Name: 2-amino-1-oxo-2-(3-phenylpropyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-3-pyrrolidin-1-iumcarboxamide IUPAC Name: 2-amino-1-oxo-2-(3-phenylpropyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyrrolidin-1-ium-3-carboxamide Traditional Name: 2-amino-1-keto-2-(3-phenylpropyl)-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)pyrrolidin-1-ium-3-carboxamide Formula: C16H20N5O2S2+ MolecularWeight: 378.4923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O2S2/c17-16(9-4-7-11-5-2-1-3-6-11)12(8-10-21(16)23)13(22)18-14-19-20-15(24)25-14/h1-3,5-6,12H,4,7-10,17H2,(H-,18,19,20,22,24)/p+1