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

Systemtic Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-ethanamide Openeye Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-acetamide CAS Name: 2-[(1-methyl-2-benzimidazolyl)thio]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)acetamide IUPAC Name: 2-(1-methylbenzimidazol-2-yl)sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide Traditional Name: 2-[(1-methylbenzimidazol-2-yl)thio]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OC5(O4)CCCC5

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)OC5(O4)CCCC5

InChI

InChI=1S/C21H21N3O3S/c1-24-16-7-3-2-6-15(16)23-20(24)28-13-19(25)22-14-8-9-17-18(12-14)27-21(26-17)10-4-5-11-21/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,22,25)