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

Systemtic Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide Openeye Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide CAS Name: 2-[(1-methyl-2-benzimidazolyl)thio]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)acetamide IUPAC Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide Traditional Name: 2-[(1-methylbenzimidazol-2-yl)thio]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OC5(O4)CCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OC5(O4)CCCCC5

InChI

InChI=1S/C22H23N3O3S/c1-25-17-8-4-3-7-16(17)24-21(25)29-14-20(26)23-15-9-10-18-19(13-15)28-22(27-18)11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,23,26)