N-(1,3-benzothiazol-6-yl)-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-6-yl)-1-(4-phenylazanylpyrimidin-2-yl)piperidine-4-carboxamide Openeye Name: 1-(4-anilinopyrimidin-2-yl)-N-(1,3-benzothiazol-6-yl)piperidine-4-carboxamide CAS Name: 1-(4-anilino-2-pyrimidinyl)-N-(1,3-benzothiazol-6-yl)-4-piperidinecarboxamide IUPAC Name: 1-(4-anilinopyrimidin-2-yl)-N-(1,3-benzothiazol-6-yl)piperidine-4-carboxamide Traditional Name: 1-(4-anilinopyrimidin-2-yl)-N-(1,3-benzothiazol-6-yl)isonipecotamide Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)N=CS3)C4=NC=CC(=N4)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)N=CS3)C4=NC=CC(=N4)NC5=CC=CC=C5

InChI

InChI=1S/C23H22N6OS/c30-22(27-18-6-7-19-20(14-18)31-15-25-19)16-9-12-29(13-10-16)23-24-11-8-21(28-23)26-17-4-2-1-3-5-17/h1-8,11,14-16H,9-10,12-13H2,(H,27,30)(H,24,26,28)