8-(2,5-dimethylphenyl)sulfonyl-N-(4-methylsulfanylphenyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide

Systemtic Name: 8-(2,5-dimethylphenyl)sulfonyl-N-(4-methylsulfanylphenyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Openeye Name: 8-(2,5-dimethylphenyl)sulfonyl-N-(4-methylsulfanylphenyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide CAS Name: 8-(2,5-dimethylphenyl)sulfonyl-N-[4-(methylthio)phenyl]-3,8-diazaspiro[4.5]decane-3-carbothioamide IUPAC Name: 8-(2,5-dimethylphenyl)sulfonyl-N-(4-methylsulfanylphenyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Traditional Name: 8-(2,5-dimethylphenyl)sulfonyl-N-[4-(methylthio)phenyl]-3,8-diazaspiro[4.5]decane-3-carbothioamide Formula: C24H31N3O2S3 MolecularWeight: 489.71684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCC3(CC2)CCN(C3)C(=S)NC4=CC=C(C=C4)SC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCC3(CC2)CCN(C3)C(=S)NC4=CC=C(C=C4)SC

InChI

InChI=1S/C24H31N3O2S3/c1-18-4-5-19(2)22(16-18)32(28,29)27-14-11-24(12-15-27)10-13-26(17-24)23(30)25-20-6-8-21(31-3)9-7-20/h4-9,16H,10-15,17H2,1-3H3,(H,25,30)