methyl 4-(4-fluorophenyl)-2-[(4-methoxy-4-oxidanylidene-butyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-fluorophenyl)-2-[(4-methoxy-4-oxidanylidene-butyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-fluorophenyl)-2-[(4-methoxy-4-oxo-butyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[[(4-methoxy-4-oxobutyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)-2-[(4-methoxy-4-oxobutyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[(4-keto-4-methoxy-butyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H19FN2O4S2 MolecularWeight: 410.482863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN2O4S2/c1-24-14(22)4-3-9-20-18(26)21-16-15(17(23)25-2)13(10-27-16)11-5-7-12(19)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H2,20,21,26)