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

Systemtic Name: methyl 2-[(8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decan-3-yl)carbothioylamino]ethanoate Openeye Name: methyl 2-[[8-(2-thienylsulfonyl)-3,8-diazaspiro[4.5]decane-3-carbothioyl]amino]acetate CAS Name: 2-[[sulfanylidene-(8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decan-3-yl)methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decane-3-carbothioyl)amino]acetate Traditional Name: 2-[[8-(2-thienylsulfonyl)-3,8-diazaspiro[4.5]decane-3-carbothioyl]amino]acetic acid methyl ester Formula: C16H23N3O4S3 MolecularWeight: 417.56652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=S)N1CCC2(C1)CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)CNC(=S)N1CCC2(C1)CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H23N3O4S3/c1-23-13(20)11-17-15(24)18-7-4-16(12-18)5-8-19(9-6-16)26(21,22)14-3-2-10-25-14/h2-3,10H,4-9,11-12H2,1H3,(H,17,24)