2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(2-morpholinoethyl)pyrazolidine-1-carbothioamide CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-N-[2-(4-morpholinyl)ethyl]-1-pyrazolidinecarbothioamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(2-morpholin-4-ylethyl)pyrazolidine-1-carbothioamide Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(2-morpholinoethyl)pyrazolidine-1-carbothioamide Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=S)NCCN2CCOCC2)C(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(N(C1)C(=S)NCCN2CCOCC2)C(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H26N4O4S/c24-18(13-15-2-3-16-17(12-15)27-14-26-16)22-5-1-6-23(22)19(28)20-4-7-21-8-10-25-11-9-21/h2-3,12H,1,4-11,13-14H2,(H,20,28)