methyl 2-[[2-(2-chloranyl-4-fluoranyl-phenoxy)ethanoylamino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-(2-chloranyl-4-fluoranyl-phenoxy)ethanoylamino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[[2-(2-chloro-4-fluoro-phenoxy)acetyl]amino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-(2-chloro-4-fluorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[[2-(2-chloro-4-fluoro-phenoxy)acetyl]amino]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H19ClFN3O4S2 MolecularWeight: 507.985363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NNC(=O)COC2=C(C=C(C=C2)F)Cl)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NNC(=O)COC2=C(C=C(C=C2)F)Cl)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H19ClFN3O4S2/c1-12-18(13-6-4-3-5-7-13)19(21(29)30-2)20(33-12)25-22(32)27-26-17(28)11-31-16-9-8-14(24)10-15(16)23/h3-10H,11H2,1-2H3,(H,26,28)(H2,25,27,32)