2-[2-[2-(4-bromophenyl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(2,5-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[2-[2-(4-bromophenyl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(2,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[2-[2-(4-bromobenzoyl)pyrazolidin-1-yl]-2-oxo-ethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide CAS Name: 2-[[2-[2-[(4-bromophenyl)-oxomethyl]-1-pyrazolidinyl]-2-oxoethyl]thio]-N-(2,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[2-[2-(4-bromobenzoyl)pyrazolidin-1-yl]-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide Traditional Name: 2-[[2-[2-(4-bromobenzoyl)pyrazolidin-1-yl]-2-keto-ethyl]thio]-N-(2,5-dimethoxyphenyl)acetamide Formula: C22H24BrN3O5S MolecularWeight: 522.41206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CSCC(=O)N2CCCN2C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CSCC(=O)N2CCCN2C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H24BrN3O5S/c1-30-17-8-9-19(31-2)18(12-17)24-20(27)13-32-14-21(28)25-10-3-11-26(25)22(29)15-4-6-16(23)7-5-15/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,24,27)