methyl 2-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]-3,8-diazaspiro[4.5]decan-3-yl]carbothioylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbonyl]-3,8-diazaspiro[4.5]decan-3-yl]carbothioylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[8-(3,5-dimethylisoxazole-4-carbonyl)-3,8-diazaspiro[4.5]decane-3-carbothioyl]amino]-3-methyl-butanoate CAS Name: 2-[[[8-[(3,5-dimethyl-4-isoxazolyl)-oxomethyl]-3,8-diazaspiro[4.5]decan-3-yl]-sulfanylidenemethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[8-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3,8-diazaspiro[4.5]decane-3-carbothioyl]amino]-3-methylbutanoate Traditional Name: 2-[[8-(3,5-dimethylisoxazole-4-carbonyl)-3,8-diazaspiro[4.5]decane-3-carbothioyl]amino]-3-methyl-butyric acid methyl ester Formula: C21H32N4O4S MolecularWeight: 436.56818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)N2CCC3(CC2)CCN(C3)C(=S)NC(C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)N2CCC3(CC2)CCN(C3)C(=S)NC(C(C)C)C(=O)OC

InChI

InChI=1S/C21H32N4O4S/c1-13(2)17(19(27)28-5)22-20(30)25-11-8-21(12-25)6-9-24(10-7-21)18(26)16-14(3)23-29-15(16)4/h13,17H,6-12H2,1-5H3,(H,22,30)