methyl 4-(4-fluorophenyl)-2-(propylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-fluorophenyl)-2-(propylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4-(4-fluorophenyl)-2-(propylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[propylamino(sulfanylidene)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)-2-(propylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-(propylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C16H17FN2O2S2 MolecularWeight: 352.446783

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=C(C(=CS1)C2=CC=C(C=C2)F)C(=O)OC

Isomeric SMILES

CCCNC(=S)NC1=C(C(=CS1)C2=CC=C(C=C2)F)C(=O)OC

InChI

InChI=1S/C16H17FN2O2S2/c1-3-8-18-16(22)19-14-13(15(20)21-2)12(9-23-14)10-4-6-11(17)7-5-10/h4-7,9H,3,8H2,1-2H3,(H2,18,19,22)