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

Systemtic Name: methyl 2-(butylcarbamothioylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: methyl 2-(butylcarbamothioylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[butylamino(sulfanylidene)methyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(butylcarbamothioylamino)-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-(butylthiocarbamoylamino)-4-(4-fluorophenyl)thiophene-3-carboxylic acid methyl ester Formula: C17H19FN2O2S2 MolecularWeight: 366.473363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19FN2O2S2/c1-3-4-9-19-17(23)20-15-14(16(21)22-2)13(10-24-15)11-5-7-12(18)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H2,19,20,23)