3-[1-(4-fluorophenyl)ethylcarbamothioylamino]cyclohexa-1,3-diene-1-carboxamide

Systemtic Name: 3-[1-(4-fluorophenyl)ethylcarbamothioylamino]cyclohexa-1,3-diene-1-carboxamide Openeye Name: 3-[1-(4-fluorophenyl)ethylcarbamothioylamino]cyclohexa-1,3-diene-1-carboxamide CAS Name: 3-[[[1-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: 3-[1-(4-fluorophenyl)ethylcarbamothioylamino]cyclohexa-1,3-diene-1-carboxamide Traditional Name: 3-[1-(4-fluorophenyl)ethylthiocarbamoylamino]cyclohexa-1,3-diene-1-carboxamide Formula: C16H18FN3OS MolecularWeight: 319.397023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=S)NC2=CCCC(=C2)C(=O)N

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=S)NC2=CCCC(=C2)C(=O)N

InChI

InChI=1S/C16H18FN3OS/c1-10(11-5-7-13(17)8-6-11)19-16(22)20-14-4-2-3-12(9-14)15(18)21/h4-10H,2-3H2,1H3,(H2,18,21)(H2,19,20,22)