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

Systemtic Name: 3-azanyl-1-(diphenylmethyl)-4-oxidanylidene-3-(3-phenylpropyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Openeye Name: 3-amino-1-benzhydryl-4-oxo-3-(3-phenylpropyl)-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide CAS Name: 3-amino-1-(diphenylmethyl)-4-oxo-3-(3-phenylpropyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-2-piperazin-4-iumcarboxamide IUPAC Name: 3-amino-1-benzhydryl-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-benzhydryl-4-keto-3-(3-phenylpropyl)-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Formula: C29H31N6O2S2+ MolecularWeight: 559.72544

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=O)C(C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=NNC(=S)S4)(CCCC5=CC=CC=C5)N

Isomeric SMILES

C1C[N+](=O)C(C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=NNC(=S)S4)(CCCC5=CC=CC=C5)N

InChI

InChI=1S/C29H30N6O2S2/c30-29(18-10-13-21-11-4-1-5-12-21)25(26(36)31-27-32-33-28(38)39-27)34(19-20-35(29)37)24(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,24-25H,10,13,18-20,30H2,(H-,31,32,33,36,38)/p+1