3-azanyl-4-oxidanylidene-1-(phenylmethyl)-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-(phenylmethyl)-3-(3-phenylpropyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Openeye Name: 3-amino-1-benzyl-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-1-(phenylmethyl)-3-(3-phenylpropyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-2-piperazin-4-iumcarboxamide IUPAC Name: 3-amino-1-benzyl-4-oxo-3-(3-phenylpropyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Traditional Name: 3-amino-1-benzyl-4-keto-3-(3-phenylpropyl)-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Formula: C23H27N6O2S2+ MolecularWeight: 483.62948

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=O)C(C(N1CC2=CC=CC=C2)C(=O)NC3=NNC(=S)S3)(CCCC4=CC=CC=C4)N

Isomeric SMILES

C1C[N+](=O)C(C(N1CC2=CC=CC=C2)C(=O)NC3=NNC(=S)S3)(CCCC4=CC=CC=C4)N

InChI

InChI=1S/C23H26N6O2S2/c24-23(13-7-12-17-8-3-1-4-9-17)19(20(30)25-21-26-27-22(32)33-21)28(14-15-29(23)31)16-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16,24H2,(H-,25,26,27,30,32)/p+1