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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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