2-(4-bromophenyl)carbonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1-carbothioamide

Systemtic Name: 2-(4-bromophenyl)carbonyl-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1-carbothioamide Openeye Name: 2-(4-bromobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1-carbothioamide CAS Name: 2-[(4-bromophenyl)-oxomethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyrazolidinecarbothioamide IUPAC Name: 2-(4-bromobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolidine-1-carbothioamide Traditional Name: 2-(4-bromobenzoyl)-N-homoveratryl-pyrazolidine-1-carbothioamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCCN2C(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C21H24BrN3O3S/c1-27-18-9-4-15(14-19(18)28-2)10-11-23-21(29)25-13-3-12-24(25)20(26)16-5-7-17(22)8-6-16/h4-9,14H,3,10-13H2,1-2H3,(H,23,29)