4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide

Systemtic Name: 4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide Openeye Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide CAS Name: 4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)benzamide IUPAC Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbenzamide Traditional Name: 4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC5(O4)CCCCC5

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC5(O4)CCCCC5

InChI

InChI=1S/C25H26N4O4S/c1-29-14-13-26-24(29)34-16-22(30)27-18-7-5-17(6-8-18)23(31)28-19-9-10-20-21(15-19)33-25(32-20)11-3-2-4-12-25/h5-10,13-15H,2-4,11-12,16H2,1H3,(H,27,30)(H,28,31)