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

Systemtic Name: methyl 2-[(4-fluorophenyl)carbamothioylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-fluorophenyl)carbamothioylamino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-fluorophenyl)carbamothioylamino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[(4-fluorophenyl)thiocarbamoylamino]-4-(2-thienyl)thiophene-3-carboxylic acid methyl ester Formula: C17H13FN2O2S3 MolecularWeight: 392.490723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CS2)NC(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CS2)NC(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C17H13FN2O2S3/c1-22-16(21)14-12(13-3-2-8-24-13)9-25-15(14)20-17(23)19-11-6-4-10(18)5-7-11/h2-9H,1H3,(H2,19,20,23)