3-[2,6-bis(chloranyl)phenyl]-5-methyl-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioyl-1,2-oxazole-4-carboxamide

Systemtic Name: 3-[2,6-bis(chloranyl)phenyl]-5-methyl-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbothioyl-1,2-oxazole-4-carboxamide Openeye Name: 3-(2,6-dichlorophenyl)-5-methyl-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)isoxazole-4-carboxamide CAS Name: 3-(2,6-dichlorophenyl)-5-methyl-N-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]-sulfanylidenemethyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2,6-dichlorophenyl)-5-methyl-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)-1,2-oxazole-4-carboxamide Traditional Name: 3-(2,6-dichlorophenyl)-5-methyl-N-(4-pyridin-1-ium-2-ylpiperazine-1-carbothioyl)isoxazole-4-carboxamide Formula: C21H20Cl2N5O2S+ MolecularWeight: 477.3868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC(=S)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC(=S)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H19Cl2N5O2S/c1-13-17(19(26-30-13)18-14(22)5-4-6-15(18)23)20(29)25-21(31)28-11-9-27(10-12-28)16-7-2-3-8-24-16/h2-8H,9-12H2,1H3,(H,25,29,31)/p+1