N-[[2-(2,3-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[2-(2,3-dimethylphenoxy)ethanoylamino]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[[2-(2,3-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-4-fluoro-benzamide Formula: C18H18FN3O3S MolecularWeight: 375.417223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)F)C

InChI

InChI=1S/C18H18FN3O3S/c1-11-4-3-5-15(12(11)2)25-10-16(23)21-22-18(26)20-17(24)13-6-8-14(19)9-7-13/h3-9H,10H2,1-2H3,(H,21,23)(H2,20,22,24,26)