N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-thiomorpholin-4-yl-6-thiophen-2-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-thiomorpholin-4-yl-6-thiophen-2-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(3-methylimidazo[2,1-b]thiazol-6-yl)methyl]-6-(2-thienyl)-2-thiomorpholino-pyridin-1-ium-3-carboxamide CAS Name: N-[(3-methyl-6-imidazo[2,1-b]thiazolyl)methyl]-2-thiomorpholin-4-yl-6-thiophen-2-yl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-thiomorpholin-4-yl-6-thiophen-2-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[(3-methylimidazo[2,1-b]thiazol-6-yl)methyl]-6-(2-thienyl)-2-thiomorpholino-pyridin-1-ium-3-carboxamide Formula: C21H22N5OS3+ MolecularWeight: 456.62728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=NC(=CN12)CNC(=O)C3=C([NH+]=C(C=C3)C4=CC=CS4)N5CCSCC5

Isomeric SMILES

CC1=CSC2=NC(=CN12)CNC(=O)C3=C([NH+]=C(C=C3)C4=CC=CS4)N5CCSCC5

InChI

InChI=1S/C21H21N5OS3/c1-14-13-30-21-23-15(12-26(14)21)11-22-20(27)16-4-5-17(18-3-2-8-29-18)24-19(16)25-6-9-28-10-7-25/h2-5,8,12-13H,6-7,9-11H2,1H3,(H,22,27)/p+1