ethyl 3-[[8-(3-methoxyphenyl)sulfonyl-3,8-diazaspiro[4.5]decan-3-yl]carbothioylamino]butanoate

Systemtic Name: ethyl 3-[[8-(3-methoxyphenyl)sulfonyl-3,8-diazaspiro[4.5]decan-3-yl]carbothioylamino]butanoate Openeye Name: ethyl 3-[[8-(3-methoxyphenyl)sulfonyl-3,8-diazaspiro[4.5]decane-3-carbothioyl]amino]butanoate CAS Name: 3-[[[8-(3-methoxyphenyl)sulfonyl-3,8-diazaspiro[4.5]decan-3-yl]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[[8-(3-methoxyphenyl)sulfonyl-3,8-diazaspiro[4.5]decane-3-carbothioyl]amino]butanoate Traditional Name: 3-[[8-(3-methoxyphenyl)sulfonyl-3,8-diazaspiro[4.5]decane-3-carbothioyl]amino]butyric acid ethyl ester Formula: C22H33N3O5S2 MolecularWeight: 483.64452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O5S2/c1-4-30-20(26)14-17(2)23-21(31)24-11-8-22(16-24)9-12-25(13-10-22)32(27,28)19-7-5-6-18(15-19)29-3/h5-7,15,17H,4,8-14,16H2,1-3H3,(H,23,31)