2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-acetamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)CSCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)CSCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H20N2O3S2/c24-19(12-27-13-20-23-15-5-1-2-6-18(15)28-20)22-14-7-8-16-17(11-14)26-21(25-16)9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,22,24)