4-(diphenylmethyl)-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(diphenylmethyl)-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-(4-nitrophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Formula: C24H25N4O2S+ MolecularWeight: 433.5459

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O2S/c29-28(30)22-13-11-21(12-14-22)25-24(31)27-17-15-26(16-18-27)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2,(H,25,31)/p+1