N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,4-dimethoxyphenyl)sulfanylethanoyl]pyrazolidine-1-carbothioamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,4-dimethoxyphenyl)sulfanylethanoyl]pyrazolidine-1-carbothioamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]pyrazolidine-1-carbothioamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[2-[(3,4-dimethoxyphenyl)thio]-1-oxoethyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]pyrazolidine-1-carbothioamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[2-[(3,4-dimethoxyphenyl)thio]acetyl]pyrazolidine-1-carbothioamide Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)N2CCCN2C(=S)NCCC3=CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)N2CCCN2C(=S)NCCC3=CCCCC3)OC

InChI

InChI=1S/C22H31N3O3S2/c1-27-19-10-9-18(15-20(19)28-2)30-16-21(26)24-13-6-14-25(24)22(29)23-12-11-17-7-4-3-5-8-17/h7,9-10,15H,3-6,8,11-14,16H2,1-2H3,(H,23,29)