ethyl 3-[[8-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-3,8-diazaspiro[4.5]decan-3-yl]carbothioylamino]butanoate

Systemtic Name: ethyl 3-[[8-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-3,8-diazaspiro[4.5]decan-3-yl]carbothioylamino]butanoate Openeye Name: ethyl 3-[[8-(7-methoxybenzofuran-2-carbonyl)-3,8-diazaspiro[4.5]decane-3-carbothioyl]amino]butanoate CAS Name: 3-[[[8-[(7-methoxy-2-benzofuranyl)-oxomethyl]-3,8-diazaspiro[4.5]decan-3-yl]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[[8-(7-methoxy-1-benzofuran-2-carbonyl)-3,8-diazaspiro[4.5]decane-3-carbothioyl]amino]butanoate Traditional Name: 3-[[8-(7-methoxybenzofuran-2-carbonyl)-3,8-diazaspiro[4.5]decane-3-carbothioyl]amino]butyric acid ethyl ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)NC(=S)N1CCC2(C1)CCN(CC2)C(=O)C3=CC4=C(O3)C(=CC=C4)OC

Isomeric SMILES

CCOC(=O)CC(C)NC(=S)N1CCC2(C1)CCN(CC2)C(=O)C3=CC4=C(O3)C(=CC=C4)OC

InChI

InChI=1S/C25H33N3O5S/c1-4-32-21(29)14-17(2)26-24(34)28-13-10-25(16-28)8-11-27(12-9-25)23(30)20-15-18-6-5-7-19(31-3)22(18)33-20/h5-7,15,17H,4,8-14,16H2,1-3H3,(H,26,34)