N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenylcyclopropyl)carbonyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenylcyclopropyl)carbonyl-pyrazolidine-1-carbothioamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbothioamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[oxo-(1-phenylcyclopropyl)methyl]-1-pyrazolidinecarbothioamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbothioamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-phenylcyclopropanecarbonyl)pyrazolidine-1-carbothioamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=S)NC2=CC3=C(C=C2)OCCO3)C(=O)C4(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CN(N(C1)C(=S)NC2=CC3=C(C=C2)OCCO3)C(=O)C4(CC4)C5=CC=CC=C5

InChI

InChI=1S/C22H23N3O3S/c26-20(22(9-10-22)16-5-2-1-3-6-16)24-11-4-12-25(24)21(29)23-17-7-8-18-19(15-17)28-14-13-27-18/h1-3,5-8,15H,4,9-14H2,(H,23,29)