4-(diphenylmethyl)-N-(2-methoxy-4-nitro-phenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(diphenylmethyl)-N-(2-methoxy-4-nitro-phenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzhydryl-N-(2-methoxy-4-nitro-phenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(diphenylmethyl)-N-(2-methoxy-4-nitrophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzhydryl-N-(2-methoxy-4-nitrophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-benzhydryl-N-(2-methoxy-4-nitro-phenyl)piperazin-4-ium-1-carbothioamide Formula: C25H27N4O3S+ MolecularWeight: 463.57188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3S/c1-32-23-18-21(29(30)31)12-13-22(23)26-25(33)28-16-14-27(15-17-28)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24H,14-17H2,1H3,(H,26,33)/p+1