N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]-1,2-benzothiazole-3-carboxamide

Systemtic Name: N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]-1,2-benzothiazole-3-carboxamide Openeye Name: N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]-1,2-benzothiazole-3-carboxamide CAS Name: N-[4-[4-(2-pyrimidinyl)-1-piperazinyl]but-2-ynyl]-1,2-benzothiazole-3-carboxamide IUPAC Name: N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]-1,2-benzothiazole-3-carboxamide Traditional Name: N-[4-[4-(2-pyrimidyl)piperazino]but-2-ynyl]-1,2-benzothiazole-3-carboxamide Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC#CCNC(=O)C2=NSC3=CC=CC=C32)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC#CCNC(=O)C2=NSC3=CC=CC=C32)C4=NC=CC=N4

InChI

InChI=1S/C20H20N6OS/c27-19(18-16-6-1-2-7-17(16)28-24-18)21-8-3-4-11-25-12-14-26(15-13-25)20-22-9-5-10-23-20/h1-2,5-7,9-10H,8,11-15H2,(H,21,27)