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

Systemtic Name: methyl 2-[[(2-chloranyl-4-fluoranyl-phenyl)carbonylamino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(2-chloro-4-fluoro-benzoyl)amino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[(2-chloro-4-fluorophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-chloro-4-fluorobenzoyl)amino]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(2-chloro-4-fluoro-benzoyl)amino]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H17ClFN3O3S2 MolecularWeight: 477.959383

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H17ClFN3O3S2/c1-11-16(12-6-4-3-5-7-12)17(20(28)29-2)19(31-11)24-21(30)26-25-18(27)14-9-8-13(23)10-15(14)22/h3-10H,1-2H3,(H,25,27)(H2,24,26,30)