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

Systemtic Name: methyl 2-[(2-fluoranyl-5-methyl-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H19FN2O2S2 MolecularWeight: 414.516163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)F)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H19FN2O2S2/c1-13-8-9-17(22)18(10-13)23-21(27)24-19-16(20(25)26-2)12-15(28-19)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H2,23,24,27)