N-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[[(2R)-2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]thiocarbamoyl]-4-fluoro-benzamide Formula: C19H20FN3O3S MolecularWeight: 389.443803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)O[C@H](C)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)F)C

InChI

InChI=1S/C19H20FN3O3S/c1-11-4-9-16(10-12(11)2)26-13(3)17(24)22-23-19(27)21-18(25)14-5-7-15(20)8-6-14/h4-10,13H,1-3H3,(H,22,24)(H2,21,23,25,27)/t13-/m1/s1