N-[5-[1-(4-chloranyl-3-fluoranyl-phenyl)ethylcarbamothioylamino]pyridin-2-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[5-[1-(4-chloranyl-3-fluoranyl-phenyl)ethylcarbamothioylamino]pyridin-2-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-[5-[1-(4-chloro-3-fluoro-phenyl)ethylcarbamothioylamino]-2-pyridyl]thiazole-4-carboxamide CAS Name: N-[5-[[[1-(4-chloro-3-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]-2-pyridinyl]-4-thiazolecarboxamide IUPAC Name: N-[5-[1-(4-chloro-3-fluorophenyl)ethylcarbamothioylamino]pyridin-2-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-[5-[1-(4-chloro-3-fluoro-phenyl)ethylthiocarbamoylamino]-2-pyridyl]thiazole-4-carboxamide Formula: C18H15ClFN5OS2 MolecularWeight: 435.926003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)Cl)F)NC(=S)NC2=CN=C(C=C2)NC(=O)C3=CSC=N3

Isomeric SMILES

CC(C1=CC(=C(C=C1)Cl)F)NC(=S)NC2=CN=C(C=C2)NC(=O)C3=CSC=N3

InChI

InChI=1S/C18H15ClFN5OS2/c1-10(11-2-4-13(19)14(20)6-11)23-18(27)24-12-3-5-16(21-7-12)25-17(26)15-8-28-9-22-15/h2-10H,1H3,(H,21,25,26)(H2,23,24,27)