2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-ethanamide

Systemtic Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-ethanamide Openeye Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-acetamide CAS Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)acetamide IUPAC Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide Traditional Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC4=C(C=C3)OC5(O4)CCCC5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC4=C(C=C3)OC5(O4)CCCC5

InChI

InChI=1S/C21H21N3O4S/c1-26-14-5-6-15-16(11-14)24-20(23-15)29-12-19(25)22-13-4-7-17-18(10-13)28-21(27-17)8-2-3-9-21/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,22,25)(H,23,24)