N-[2-(3,4-dimethoxyphenyl)ethyl]-8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-(2-thienylsulfonyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-8-thiophen-2-ylsulfonyl-3,8-diazaspiro[4.5]decane-3-carbothioamide Traditional Name: N-homoveratryl-8-(2-thienylsulfonyl)-3,8-diazaspiro[4.5]decane-3-carbothioamide Formula: C23H31N3O4S3 MolecularWeight: 509.70494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O4S3/c1-29-19-6-5-18(16-20(19)30-2)7-11-24-22(31)25-12-8-23(17-25)9-13-26(14-10-23)33(27,28)21-4-3-15-32-21/h3-6,15-16H,7-14,17H2,1-2H3,(H,24,31)