N-(4-chloranyl-2,5-dimethoxy-phenyl)-8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-8-(2-thienylsulfonyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-8-(2-thienylsulfonyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Formula: C21H26ClN3O4S3 MolecularWeight: 516.09684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCC3(C2)CCN(CC3)S(=O)(=O)C4=CC=CS4)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCC3(C2)CCN(CC3)S(=O)(=O)C4=CC=CS4)OC)Cl

InChI

InChI=1S/C21H26ClN3O4S3/c1-28-17-13-16(18(29-2)12-15(17)22)23-20(30)24-8-5-21(14-24)6-9-25(10-7-21)32(26,27)19-4-3-11-31-19/h3-4,11-13H,5-10,14H2,1-2H3,(H,23,30)