4-chloranyl-N-[4-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide

Systemtic Name: 4-chloranyl-N-[4-[3-oxidanylidene-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide Openeye Name: 4-chloro-N-[4-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]thiazol-2-yl]benzamide CAS Name: 4-chloro-N-[4-[3-oxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-2-thiazolyl]benzamide IUPAC Name: 4-chloro-N-[4-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide Traditional Name: 4-chloro-N-[4-[3-keto-3-[4-(2-pyrimidyl)piperazino]propyl]thiazol-2-yl]benzamide Formula: C21H21ClN6O2S MolecularWeight: 456.94844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC3=CSC(=N3)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC3=CSC(=N3)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN6O2S/c22-16-4-2-15(3-5-16)19(30)26-21-25-17(14-31-21)6-7-18(29)27-10-12-28(13-11-27)20-23-8-1-9-24-20/h1-5,8-9,14H,6-7,10-13H2,(H,25,26,30)