2-pyrimidin-2-ylsulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide

Systemtic Name: 2-pyrimidin-2-ylsulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide Openeye Name: 2-pyrimidin-2-ylsulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide CAS Name: 2-(2-pyrimidinylthio)-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)acetamide IUPAC Name: 2-pyrimidin-2-ylsulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide Traditional Name: 2-(2-pyrimidylthio)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CSC4=NC=CC=N4

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C18H19N3O3S/c22-16(12-25-17-19-9-4-10-20-17)21-13-5-6-14-15(11-13)24-18(23-14)7-2-1-3-8-18/h4-6,9-11H,1-3,7-8,12H2,(H,21,22)