N-[[(1S,2S,4R)-3-[[5-(3-chlorophenyl)-2-(methylamino)-1,3-thiazol-4-yl]carbonyl]-3-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-benzothiazole-7-carboxamide

Systemtic Name: N-[[(1S,2S,4R)-3-[[5-(3-chlorophenyl)-2-(methylamino)-1,3-thiazol-4-yl]carbonyl]-3-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-benzothiazole-7-carboxamide Openeye Name: N-[[(1S,2S,4R)-3-[5-(3-chlorophenyl)-2-(methylamino)thiazole-4-carbonyl]-3-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-benzothiazole-7-carboxamide CAS Name: N-[[(1S,2S,4R)-3-[[5-(3-chlorophenyl)-2-(methylamino)-4-thiazolyl]-oxomethyl]-3-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-benzothiazole-7-carboxamide IUPAC Name: N-[[(1S,2S,4R)-3-[5-(3-chlorophenyl)-2-(methylamino)-1,3-thiazole-4-carbonyl]-3-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-benzothiazole-7-carboxamide Traditional Name: N-[[(1S,2S,4R)-3-[5-(3-chlorophenyl)-2-(methylamino)thiazole-4-carbonyl]-3-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-benzothiazole-7-carboxamide Formula: C26H24ClN5O2S2 MolecularWeight: 538.08406

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=C(S1)C2=CC(=CC=C2)Cl)C(=O)N3C4CCC(C4)C3CNC(=O)C5=C6C(=CC=C5)N=CS6

Isomeric SMILES

CNC1=NC(=C(S1)C2=CC(=CC=C2)Cl)C(=O)N3[C@@H]4CC[C@@H](C4)[C@H]3CNC(=O)C5=C6C(=CC=C5)N=CS6

InChI

InChI=1S/C26H24ClN5O2S2/c1-28-26-31-21(22(36-26)15-4-2-5-16(27)10-15)25(34)32-17-9-8-14(11-17)20(32)12-29-24(33)18-6-3-7-19-23(18)35-13-30-19/h2-7,10,13-14,17,20H,8-9,11-12H2,1H3,(H,28,31)(H,29,33)/t14-,17+,20+/m0/s1