N-[(2,3-dimethoxyphenyl)methyl]-2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidine-1-carbothioamide

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidine-1-carbothioamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidine-1-carbothioamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[3-(2,5-dimethoxyphenyl)-1-oxoprop-2-enyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidine-1-carbothioamide Traditional Name: 2-[3-(2,5-dimethoxyphenyl)acryloyl]-N-o-veratryl-pyrazolidine-1-carbothioamide Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=S)NCC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=S)NCC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C24H29N3O5S/c1-29-19-10-11-20(30-2)17(15-19)9-12-22(28)26-13-6-14-27(26)24(33)25-16-18-7-5-8-21(31-3)23(18)32-4/h5,7-12,15H,6,13-14,16H2,1-4H3,(H,25,33)