2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]-N-(2-morpholinoethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[3-(2,5-dimethoxyphenyl)-1-oxoprop-2-enyl]-N-[2-(4-morpholinyl)ethyl]-1-pyrazolidinecarbothioamide IUPAC Name: 2-[3-(2,5-dimethoxyphenyl)prop-2-enoyl]-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-[3-(2,5-dimethoxyphenyl)acryloyl]-N-(2-morpholinoethyl)pyrazolidine-1-carbothioamide Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=S)NCCN3CCOCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=S)NCCN3CCOCC3

InChI

InChI=1S/C21H30N4O4S/c1-27-18-5-6-19(28-2)17(16-18)4-7-20(26)24-9-3-10-25(24)21(30)22-8-11-23-12-14-29-15-13-23/h4-7,16H,3,8-15H2,1-2H3,(H,22,30)