N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(4-isopropylphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]thiazole-4-carboxamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-2-(4-propan-2-ylphenyl)-4-thiazolecarboxamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-p-cumenyl-thiazole-4-carboxamide Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H27N5OS/c1-16(2)17-4-6-18(7-5-17)23-26-20(15-30-23)22(29)25-19-8-9-21(24-14-19)28-12-10-27(3)11-13-28/h4-9,14-16H,10-13H2,1-3H3,(H,25,29)/p+1