ethyl 2-[(3-fluorophenyl)carbonylcarbamothioylamino]-4-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-fluorophenyl)carbonylcarbamothioylamino]-4-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-fluorobenzoyl)carbamothioylamino]-4-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[[[(3-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-fluorobenzoyl)carbamothioylamino]-4-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[(3-fluorobenzoyl)thiocarbamoylamino]-4-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H19FN2O3S2 MolecularWeight: 394.483463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C(C)C)NC(=S)NC(=O)C2=CC(=CC=C2)F

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C(C)C)NC(=S)NC(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C18H19FN2O3S2/c1-4-24-17(23)14-13(10(2)3)9-26-16(14)21-18(25)20-15(22)11-6-5-7-12(19)8-11/h5-10H,4H2,1-3H3,(H2,20,21,22,25)