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

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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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=C5N4

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H21N3O3S/c25-19(13-28-20-23-15-6-2-3-7-16(15)24-20)22-14-8-9-17-18(12-14)27-21(26-17)10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,22,25)(H,23,24)