N-(5-chloranyl-2-methoxy-phenyl)-2-(pyridin-3-ylmethylcarbamothioyl)pyrazolidine-1-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-(pyridin-3-ylmethylcarbamothioyl)pyrazolidine-1-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-(3-pyridylmethylcarbamothioyl)pyrazolidine-1-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(3-pyridinylmethylamino)-sulfanylidenemethyl]-1-pyrazolidinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-(pyridin-3-ylmethylcarbamothioyl)pyrazolidine-1-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-(3-pyridylmethylthiocarbamoyl)pyrazolidine-1-carboxamide Formula: C18H20ClN5O2S MolecularWeight: 405.9017

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCCN2C(=S)NCC3=CN=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCCN2C(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C18H20ClN5O2S/c1-26-16-6-5-14(19)10-15(16)22-17(25)23-8-3-9-24(23)18(27)21-12-13-4-2-7-20-11-13/h2,4-7,10-11H,3,8-9,12H2,1H3,(H,21,27)(H,22,25)