ethyl N-[[4-cyano-2-fluoranyl-5-(methylsulfonylamino)phenyl]carbamothioyl-methyl-amino]carbamate

Systemtic Name: ethyl N-[[4-cyano-2-fluoranyl-5-(methylsulfonylamino)phenyl]carbamothioyl-methyl-amino]carbamate Openeye Name: ethyl N-[[4-cyano-2-fluoro-5-(methanesulfonamido)phenyl]carbamothioyl-methyl-amino]carbamate CAS Name: N-[[[4-cyano-2-fluoro-5-(methanesulfonamido)anilino]-sulfanylidenemethyl]-methylamino]carbamic acid ethyl ester IUPAC Name: ethyl N-[[4-cyano-2-fluoro-5-(methanesulfonamido)phenyl]carbamothioyl-methylamino]carbamate Traditional Name: N-[[4-cyano-2-fluoro-5-(methanesulfonamido)phenyl]thiocarbamoyl-methyl-amino]carbamic acid ethyl ester Formula: C13H16FN5O4S2 MolecularWeight: 389.425643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NN(C)C(=S)NC1=C(C=C(C(=C1)NS(=O)(=O)C)C#N)F

Isomeric SMILES

CCOC(=O)NN(C)C(=S)NC1=C(C=C(C(=C1)NS(=O)(=O)C)C#N)F

InChI

InChI=1S/C13H16FN5O4S2/c1-4-23-13(20)17-19(2)12(24)16-11-6-10(18-25(3,21)22)8(7-15)5-9(11)14/h5-6,18H,4H2,1-3H3,(H,16,24)(H,17,20)