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

Systemtic Name: 3-azanyl-4-oxidanylidene-1-phenyl-3-(3-phenylpropyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Openeye Name: 3-amino-4-oxo-1-phenyl-3-(3-phenylpropyl)-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide CAS Name: 3-amino-4-oxo-1-phenyl-3-(3-phenylpropyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-2-piperazin-4-iumcarboxamide IUPAC Name: 3-amino-4-oxo-1-phenyl-3-(3-phenylpropyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Traditional Name: 3-amino-4-keto-1-phenyl-3-(3-phenylpropyl)-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Formula: C22H25N6O2S2+ MolecularWeight: 469.6029

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=O)C(C(N1C2=CC=CC=C2)C(=O)NC3=NNC(=S)S3)(CCCC4=CC=CC=C4)N

Isomeric SMILES

C1C[N+](=O)C(C(N1C2=CC=CC=C2)C(=O)NC3=NNC(=S)S3)(CCCC4=CC=CC=C4)N

InChI

InChI=1S/C22H24N6O2S2/c23-22(13-7-10-16-8-3-1-4-9-16)18(19(29)24-20-25-26-21(31)32-20)27(14-15-28(22)30)17-11-5-2-6-12-17/h1-6,8-9,11-12,18H,7,10,13-15,23H2,(H-,24,25,26,29,31)/p+1