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

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CSCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CSCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H22N2O3S2/c25-20(13-28-14-21-24-16-6-2-3-7-19(16)29-21)23-15-8-9-17-18(12-15)27-22(26-17)10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13-14H2,(H,23,25)