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

Systemtic Name: N-[[(1S,2S,4R)-3-[3-(1,3-benzodioxol-5-yl)thiophen-2-yl]carbonyl-3-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-benzothiazole-7-carboxamide Openeye Name: N-[[(1S,2S,4R)-3-[3-(1,3-benzodioxol-5-yl)thiophene-2-carbonyl]-3-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-benzothiazole-7-carboxamide CAS Name: N-[[(1S,2S,4R)-3-[[3-(1,3-benzodioxol-5-yl)-2-thiophenyl]-oxomethyl]-3-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-benzothiazole-7-carboxamide IUPAC Name: N-[[(1S,2S,4R)-3-[3-(1,3-benzodioxol-5-yl)thiophene-2-carbonyl]-3-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-benzothiazole-7-carboxamide Traditional Name: N-[[(1S,2S,4R)-3-[3-(1,3-benzodioxol-5-yl)thiophene-2-carbonyl]-3-azabicyclo[2.2.1]heptan-2-yl]methyl]-1,3-benzothiazole-7-carboxamide Formula: C27H23N3O4S2 MolecularWeight: 517.61922

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC1C(N2C(=O)C3=C(C=CS3)C4=CC5=C(C=C4)OCO5)CNC(=O)C6=C7C(=CC=C6)N=CS7

Isomeric SMILES

C1C[C@@H]2C[C@H]1[C@H](N2C(=O)C3=C(C=CS3)C4=CC5=C(C=C4)OCO5)CNC(=O)C6=C7C(=CC=C6)N=CS7

InChI

InChI=1S/C27H23N3O4S2/c31-26(19-2-1-3-20-24(19)36-13-29-20)28-12-21-16-4-6-17(10-16)30(21)27(32)25-18(8-9-35-25)15-5-7-22-23(11-15)34-14-33-22/h1-3,5,7-9,11,13,16-17,21H,4,6,10,12,14H2,(H,28,31)/t16-,17+,21+/m0/s1