N-[4-[2-(3-fluoranylphenoxy)ethylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[2-(3-fluoranylphenoxy)ethylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[2-(3-fluorophenoxy)ethylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[2-(3-fluorophenoxy)ethylamino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[2-(3-fluorophenoxy)ethylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[2-(3-fluorophenoxy)ethylthiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C18H16FN5O2S2 MolecularWeight: 417.480343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)OCCNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSN=N3

Isomeric SMILES

C1=CC(=CC(=C1)F)OCCNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSN=N3

InChI

InChI=1S/C18H16FN5O2S2/c19-12-2-1-3-15(10-12)26-9-8-20-18(27)22-14-6-4-13(5-7-14)21-17(25)16-11-28-24-23-16/h1-7,10-11H,8-9H2,(H,21,25)(H2,20,22,27)