N-(5-chloranyl-2-methoxy-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)pyrazolidine-1-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)pyrazolidine-1-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)pyrazolidine-1-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]-1-pyrazolidinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)pyrazolidine-1-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoyl)pyrazolidine-1-carboxamide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCCN2C(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCCN2C(=S)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21ClN4O4S/c1-27-16-5-3-13(21)11-15(16)23-19(26)24-7-2-8-25(24)20(30)22-14-4-6-17-18(12-14)29-10-9-28-17/h3-6,11-12H,2,7-10H2,1H3,(H,22,30)(H,23,26)