2-quinazolin-4-ylsulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide

Systemtic Name: 2-quinazolin-4-ylsulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-ethanamide Openeye Name: 2-quinazolin-4-ylsulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide CAS Name: 2-(4-quinazolinylthio)-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)acetamide IUPAC Name: 2-quinazolin-4-ylsulfanyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide Traditional Name: 2-(quinazolin-4-ylthio)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CSC4=NC=NC5=CC=CC=C54

Isomeric SMILES

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CSC4=NC=NC5=CC=CC=C54

InChI

InChI=1S/C22H21N3O3S/c26-20(13-29-21-16-6-2-3-7-17(16)23-14-24-21)25-15-8-9-18-19(12-15)28-22(27-18)10-4-1-5-11-22/h2-3,6-9,12,14H,1,4-5,10-11,13H2,(H,25,26)