N-[[(1S,2S,4R)-3-[[5-(3-chlorophenyl)-2-(ethylamino)-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-(ethylamino)-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-(ethylamino)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-(ethylamino)-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-(ethylamino)-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-(ethylamino)thiazole-4-carbonyl]-3-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-benzothiazole-7-carboxamide Formula: C27H26ClN5O2S2 MolecularWeight: 552.11064

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=C(S1)C2=CC(=CC=C2)Cl)C(=O)N3C4CCC(C4)C3CNC(=O)C5=C6C(=CC=C5)N=CS6

Isomeric SMILES

CCNC1=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/C27H26ClN5O2S2/c1-2-29-27-32-22(23(37-27)16-5-3-6-17(28)11-16)26(35)33-18-10-9-15(12-18)21(33)13-30-25(34)19-7-4-8-20-24(19)36-14-31-20/h3-8,11,14-15,18,21H,2,9-10,12-13H2,1H3,(H,29,32)(H,30,34)/t15-,18+,21+/m0/s1