4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-butanamide

Systemtic Name: 4-methylsulfanyl-2-(2-phenoxyethanoylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-butanamide Openeye Name: 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-butanamide CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)butanamide IUPAC Name: 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide Traditional Name: 4-(methylthio)-2-[(2-phenoxyacetyl)amino]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-butyramide Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=C(C=C1)OC3(O2)CCCC3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CSCCC(C(=O)NC1=CC2=C(C=C1)OC3(O2)CCCC3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O5S/c1-32-14-11-19(26-22(27)16-29-18-7-3-2-4-8-18)23(28)25-17-9-10-20-21(15-17)31-24(30-20)12-5-6-13-24/h2-4,7-10,15,19H,5-6,11-14,16H2,1H3,(H,25,28)(H,26,27)