2-(2,3-dimethoxyphenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(2,3-dimethoxyphenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(2,3-dimethoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]thiazole-4-carboxamide CAS Name: 2-(2,3-dimethoxyphenyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4-thiazolecarboxamide IUPAC Name: 2-(2,3-dimethoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide Traditional Name: 2-(2,3-dimethoxyphenyl)-N-[6-(3-ketopiperazino)-3-pyridyl]thiazole-4-carboxamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NC(=CS2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC(=CS2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C21H21N5O4S/c1-29-16-5-3-4-14(19(16)30-2)21-25-15(12-31-21)20(28)24-13-6-7-17(23-10-13)26-9-8-22-18(27)11-26/h3-7,10,12H,8-9,11H2,1-2H3,(H,22,27)(H,24,28)