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

Systemtic Name: N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(4-isopropylphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]thiazole-4-carboxamide CAS Name: N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-2-(4-propan-2-ylphenyl)-4-thiazolecarboxamide IUPAC Name: N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-2-p-cumenyl-thiazole-4-carboxamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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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)N4CCNC(=O)C4

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2S/c1-14(2)15-3-5-16(6-4-15)22-26-18(13-30-22)21(29)25-17-7-8-19(24-11-17)27-10-9-23-20(28)12-27/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,23,28)(H,25,29)