(2R)-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-(3-chloranylpyridin-2-yl)-2-methyl-piperazine-1-carboxamide

Systemtic Name: (2R)-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-(3-chloranylpyridin-2-yl)-2-methyl-piperazine-1-carboxamide Openeye Name: (2R)-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridyl)-2-methyl-piperazine-1-carboxamide CAS Name: (2R)-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridinyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: (2R)-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-(3-chloropyridin-2-yl)-2-methylpiperazine-1-carboxamide Traditional Name: (2R)-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-4-(3-chloro-2-pyridyl)-2-methyl-piperazine-1-carboxamide Formula: C22H26ClN5OS MolecularWeight: 443.99274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=NC3=C(S2)C=C(C=C3)C(C)(C)C)C4=C(C=CC=N4)Cl

Isomeric SMILES

C[C@@H]1CN(CCN1C(=O)NC2=NC3=C(S2)C=C(C=C3)C(C)(C)C)C4=C(C=CC=N4)Cl

InChI

InChI=1S/C22H26ClN5OS/c1-14-13-27(19-16(23)6-5-9-24-19)10-11-28(14)21(29)26-20-25-17-8-7-15(22(2,3)4)12-18(17)30-20/h5-9,12,14H,10-11,13H2,1-4H3,(H,25,26,29)/t14-/m1/s1