N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidine-1-carbothioamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidine-1-carbothioamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidine-1-carbothioamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(2,5-dimethoxyphenyl)-1-oxoprop-2-enyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]pyrazolidine-1-carbothioamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(2,5-dimethoxyphenyl)acryloyl]pyrazolidine-1-carbothioamide Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=S)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H25N3O5S/c1-28-18-6-8-19(29-2)16(14-18)4-9-22(27)25-10-3-11-26(25)23(32)24-17-5-7-20-21(15-17)31-13-12-30-20/h4-9,14-15H,3,10-13H2,1-2H3,(H,24,32)