N-(3,5-dimethoxyphenyl)-8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide Openeye Name: N-(3,5-dimethoxyphenyl)-8-(2-thienylsulfonyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide CAS Name: N-(3,5-dimethoxyphenyl)-8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide IUPAC Name: N-(3,5-dimethoxyphenyl)-8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide Traditional Name: N-(3,5-dimethoxyphenyl)-8-(2-thienylsulfonyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Formula: C21H27N3O4S3 MolecularWeight: 481.65178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)N2CCC3(C2)CCN(CC3)S(=O)(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)N2CCC3(C2)CCN(CC3)S(=O)(=O)C4=CC=CS4)OC

InChI

InChI=1S/C21H27N3O4S3/c1-27-17-12-16(13-18(14-17)28-2)22-20(29)23-8-5-21(15-23)6-9-24(10-7-21)31(25,26)19-4-3-11-30-19/h3-4,11-14H,5-10,15H2,1-2H3,(H,22,29)