ethyl 2-[(2-fluoranyl-5-methyl-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-fluoranyl-5-methyl-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(2-fluoro-5-methyl-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(2-fluoro-5-methylanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(2-fluoro-5-methylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(2-fluoro-5-methyl-phenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H21FN2O2S2 MolecularWeight: 428.542743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(C=CC(=C3)C)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(C=CC(=C3)C)F

InChI

InChI=1S/C22H21FN2O2S2/c1-3-27-21(26)17-13-16(12-15-7-5-4-6-8-15)29-20(17)25-22(28)24-19-11-14(2)9-10-18(19)23/h4-11,13H,3,12H2,1-2H3,(H2,24,25,28)