(5Z)-2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one

Systemtic Name: (5Z)-2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one Openeye Name: (5Z)-2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-[(5-methyl-2-furyl)methylene]thiazol-4-one CAS Name: (5Z)-2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-5-[(5-methyl-2-furanyl)methylidene]-4-thiazolone IUPAC Name: (5Z)-2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one Traditional Name: (5Z)-2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-[(5-methyl-2-furyl)methylene]-2-thiazolin-4-one Formula: C26H26N3O2S+ MolecularWeight: 444.56854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=C2C(=O)N=C(S2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(O1)/C=C\2/C(=O)N=C(S2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3O2S/c1-19-12-13-22(31-19)18-23-25(30)27-26(32-23)29-16-14-28(15-17-29)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,24H,14-17H2,1H3/p+1/b23-18-