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

Systemtic Name: methyl 2-[(4-fluorophenyl)carbamothioylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(4-fluorophenyl)carbamothioylamino]-4-isobutyl-thiophene-3-carboxylate CAS Name: 2-[[(4-fluoroanilino)-sulfanylidenemethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-fluorophenyl)carbamothioylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 2-[(4-fluorophenyl)thiocarbamoylamino]-4-isobutyl-thiophene-3-carboxylic acid methyl ester Formula: C17H19FN2O2S2 MolecularWeight: 366.473363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CSC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CC1=CSC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)F

InChI

InChI=1S/C17H19FN2O2S2/c1-10(2)8-11-9-24-15(14(11)16(21)22-3)20-17(23)19-13-6-4-12(18)5-7-13/h4-7,9-10H,8H2,1-3H3,(H2,19,20,23)