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

Systemtic Name: 2-(4-ethoxyphenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(4-ethoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]thiazole-4-carboxamide CAS Name: 2-(4-ethoxyphenyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4-thiazolecarboxamide IUPAC Name: 2-(4-ethoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-2-p-phenetyl-thiazole-4-carboxamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C21H21N5O3S/c1-2-29-16-6-3-14(4-7-16)21-25-17(13-30-21)20(28)24-15-5-8-18(23-11-15)26-10-9-22-19(27)12-26/h3-8,11,13H,2,9-10,12H2,1H3,(H,22,27)(H,24,28)