3-(2-methylsulfanylimidazol-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide

Systemtic Name: 3-(2-methylsulfanylimidazol-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide Openeye Name: 3-(2-methylsulfanylimidazol-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide CAS Name: 3-[2-(methylthio)-1-imidazolyl]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)benzamide IUPAC Name: 3-(2-methylsulfanylimidazol-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide Traditional Name: 3-[2-(methylthio)imidazol-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-benzamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CN1C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OC5(O4)CCCC5

Isomeric SMILES

CSC1=NC=CN1C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3)OC5(O4)CCCC5

InChI

InChI=1S/C22H21N3O3S/c1-29-21-23-11-12-25(21)17-6-4-5-15(13-17)20(26)24-16-7-8-18-19(14-16)28-22(27-18)9-2-3-10-22/h4-8,11-14H,2-3,9-10H2,1H3,(H,24,26)