N-[[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[2-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[2-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]thiocarbamoyl]-2-furamide Formula: C30H29N4O3S+ MolecularWeight: 525.64126

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=S)NC(=O)C5=CC=CO5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4NC(=S)NC(=O)C5=CC=CO5

InChI

InChI=1S/C30H28N4O3S/c35-28(26-16-9-21-37-26)32-30(38)31-25-15-8-7-14-24(25)29(36)34-19-17-33(18-20-34)27(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-16,21,27H,17-20H2,(H2,31,32,35,38)/p+1