methyl 4-(4-fluorophenyl)-2-[(phenylmethyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-fluorophenyl)-2-[(phenylmethyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-(benzylcarbamothioylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(benzylcarbamothioylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-(benzylthiocarbamoylamino)-4-(4-fluorophenyl)thiophene-3-carboxylic acid methyl ester Formula: C20H17FN2O2S2 MolecularWeight: 400.489583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H17FN2O2S2/c1-25-19(24)17-16(14-7-9-15(21)10-8-14)12-27-18(17)23-20(26)22-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,22,23,26)