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

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

Isomeric SMILES

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

InChI

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