ethyl 3-[[8-[2,6-bis(fluoranyl)-3-methyl-phenyl]carbonyl-3,8-diazaspiro[4.5]decan-3-yl]carbothioylamino]butanoate

Systemtic Name: ethyl 3-[[8-[2,6-bis(fluoranyl)-3-methyl-phenyl]carbonyl-3,8-diazaspiro[4.5]decan-3-yl]carbothioylamino]butanoate Openeye Name: ethyl 3-[[8-(2,6-difluoro-3-methyl-benzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioyl]amino]butanoate CAS Name: 3-[[[8-[(2,6-difluoro-3-methylphenyl)-oxomethyl]-3,8-diazaspiro[4.5]decan-3-yl]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[[8-(2,6-difluoro-3-methylbenzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioyl]amino]butanoate Traditional Name: 3-[[8-(2,6-difluoro-3-methyl-benzoyl)-3,8-diazaspiro[4.5]decane-3-carbothioyl]amino]butyric acid ethyl ester Formula: C23H31F2N3O3S MolecularWeight: 467.572346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC(=S)N1CCC2(C1)CCN(CC2)C(=O)C3=C(C=CC(=C3F)C)F

Isomeric SMILES

CCOC(=O)CC(C)NC(=S)N1CCC2(C1)CCN(CC2)C(=O)C3=C(C=CC(=C3F)C)F

InChI

InChI=1S/C23H31F2N3O3S/c1-4-31-18(29)13-16(3)26-22(32)28-12-9-23(14-28)7-10-27(11-8-23)21(30)19-17(24)6-5-15(2)20(19)25/h5-6,16H,4,7-14H2,1-3H3,(H,26,32)