ethyl 3-[(8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decan-3-yl)carbothioylamino]butanoate

Systemtic Name: ethyl 3-[(8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decan-3-yl)carbothioylamino]butanoate Openeye Name: ethyl 3-[[8-(2-thienylsulfonyl)-3,8-diazaspiro[4.5]decane-3-carbothioyl]amino]butanoate CAS Name: 3-[[sulfanylidene-(8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decan-3-yl)methyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[(8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decane-3-carbothioyl)amino]butanoate Traditional Name: 3-[[8-(2-thienylsulfonyl)-3,8-diazaspiro[4.5]decane-3-carbothioyl]amino]butyric acid ethyl ester Formula: C19H29N3O4S3 MolecularWeight: 459.64626

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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=CS3

Isomeric SMILES

CCOC(=O)CC(C)NC(=S)N1CCC2(C1)CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H29N3O4S3/c1-3-26-16(23)13-15(2)20-18(27)21-9-6-19(14-21)7-10-22(11-8-19)29(24,25)17-5-4-12-28-17/h4-5,12,15H,3,6-11,13-14H2,1-2H3,(H,20,27)