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

Systemtic Name: 2-(4-bromophenyl)carbonyl-N-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1-carbothioamide Openeye Name: 2-(4-bromobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1-carbothioamide CAS Name: 2-[(4-bromophenyl)-oxomethyl]-N-[(2,3-dimethoxyphenyl)methyl]-1-pyrazolidinecarbothioamide IUPAC Name: 2-(4-bromobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]pyrazolidine-1-carbothioamide Traditional Name: 2-(4-bromobenzoyl)-N-o-veratryl-pyrazolidine-1-carbothioamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CNC(=S)N2CCCN2C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1OC)CNC(=S)N2CCCN2C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrN3O3S/c1-26-17-6-3-5-15(18(17)27-2)13-22-20(28)24-12-4-11-23(24)19(25)14-7-9-16(21)10-8-14/h3,5-10H,4,11-13H2,1-2H3,(H,22,28)