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

Systemtic Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide Openeye Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide CAS Name: 2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)acetamide IUPAC Name: 2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide Traditional Name: 2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CSC4=NC5=CC=CC=C5N4CCC#N

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CSC4=NC5=CC=CC=C5N4CCC#N

InChI

InChI=1S/C24H24N4O3S/c25-13-6-14-28-19-8-3-2-7-18(19)27-23(28)32-16-22(29)26-17-9-10-20-21(15-17)31-24(30-20)11-4-1-5-12-24/h2-3,7-10,15H,1,4-6,11-12,14,16H2,(H,26,29)