N-(5-chloranyl-2-methoxy-phenyl)-2-[2-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanylethanoyl]pyrazolidine-1-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[2-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanylethanoyl]pyrazolidine-1-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[2-[2-oxo-2-(2-pyridylamino)ethyl]sulfanylacetyl]pyrazolidine-1-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[1-oxo-2-[[2-oxo-2-(2-pyridinylamino)ethyl]thio]ethyl]-1-pyrazolidinecarboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetyl]pyrazolidine-1-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[2-[[2-keto-2-(2-pyridylamino)ethyl]thio]acetyl]pyrazolidine-1-carboxamide Formula: C20H22ClN5O4S MolecularWeight: 463.93778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCCN2C(=O)CSCC(=O)NC3=CC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)N2CCCN2C(=O)CSCC(=O)NC3=CC=CC=N3

InChI

InChI=1S/C20H22ClN5O4S/c1-30-16-7-6-14(21)11-15(16)23-20(29)26-10-4-9-25(26)19(28)13-31-12-18(27)24-17-5-2-3-8-22-17/h2-3,5-8,11H,4,9-10,12-13H2,1H3,(H,23,29)(H,22,24,27)