methyl 3-[[4-(4-fluorophenyl)piperazin-1-yl]carbothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-(4-fluorophenyl)piperazin-1-yl]carbothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-(4-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-(4-fluorophenyl)piperazine-1-carbothioyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H18FN3O2S2 MolecularWeight: 379.472123

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H18FN3O2S2/c1-23-16(22)15-14(6-11-25-15)19-17(24)21-9-7-20(8-10-21)13-4-2-12(18)3-5-13/h2-6,11H,7-10H2,1H3,(H,19,24)