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

Systemtic Name: 3-azanyl-4-oxidanylidene-3-(3-phenylpropyl)-1-pyridin-2-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Openeye Name: 3-amino-4-oxo-3-(3-phenylpropyl)-1-(2-pyridyl)-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide CAS Name: 3-amino-4-oxo-3-(3-phenylpropyl)-1-(2-pyridinyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-2-piperazin-4-iumcarboxamide IUPAC Name: 3-amino-4-oxo-3-(3-phenylpropyl)-1-pyridin-2-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Traditional Name: 3-amino-4-keto-3-(3-phenylpropyl)-1-(2-pyridyl)-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Formula: C21H24N7O2S2+ MolecularWeight: 470.59096

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=O)C(C(N1C2=CC=CC=N2)C(=O)NC3=NNC(=S)S3)(CCCC4=CC=CC=C4)N

Isomeric SMILES

C1C[N+](=O)C(C(N1C2=CC=CC=N2)C(=O)NC3=NNC(=S)S3)(CCCC4=CC=CC=C4)N

InChI

InChI=1S/C21H23N7O2S2/c22-21(11-6-9-15-7-2-1-3-8-15)17(18(29)24-19-25-26-20(31)32-19)27(13-14-28(21)30)16-10-4-5-12-23-16/h1-5,7-8,10,12,17H,6,9,11,13-14,22H2,(H-,24,25,26,29,31)/p+1