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

Systemtic Name: 2-(4-chlorophenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]thiazole-4-carboxamide CAS Name: 2-(4-chlorophenyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4-thiazolecarboxamide IUPAC Name: 2-(4-chlorophenyl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-N-[6-(3-ketopiperazino)-3-pyridyl]thiazole-4-carboxamide Formula: C19H16ClN5O2S MolecularWeight: 413.88064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CSC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CSC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H16ClN5O2S/c20-13-3-1-12(2-4-13)19-24-15(11-28-19)18(27)23-14-5-6-16(22-9-14)25-8-7-21-17(26)10-25/h1-6,9,11H,7-8,10H2,(H,21,26)(H,23,27)