(5E)-2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one

Systemtic Name: (5E)-2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one Openeye Name: (5E)-2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-(2-thienylmethylene)thiazol-4-one CAS Name: (5E)-2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-5-(thiophen-2-ylmethylidene)-4-thiazolone IUPAC Name: (5E)-2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one Traditional Name: (5E)-2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-(2-thenylidene)-2-thiazolin-4-one Formula: C25H24N3OS2+ MolecularWeight: 446.60756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=O)C(=CC5=CC=CS5)S4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=NC(=O)/C(=C\C5=CC=CS5)/S4

InChI

InChI=1S/C25H23N3OS2/c29-24-22(18-21-12-7-17-30-21)31-25(26-24)28-15-13-27(14-16-28)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,17-18,23H,13-16H2/p+1/b22-18+