methyl 2-[(4-fluorophenyl)methylcarbamothioylamino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-fluorophenyl)methylcarbamothioylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-fluorophenyl)methylcarbamothioylamino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[[(4-fluorophenyl)methylamino]-sulfanylidenemethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-fluorophenyl)methylcarbamothioylamino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[(4-fluorobenzyl)thiocarbamoylamino]-4-(2-thienyl)thiophene-3-carboxylic acid methyl ester Formula: C18H15FN2O2S3 MolecularWeight: 406.517303

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CS2)NC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CS2)NC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H15FN2O2S3/c1-23-17(22)15-13(14-3-2-8-25-14)10-26-16(15)21-18(24)20-9-11-4-6-12(19)7-5-11/h2-8,10H,9H2,1H3,(H2,20,21,24)