methyl 5-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[[4-(2-fluorophenyl)piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-(2-fluorophenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[4-(2-fluorophenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H22FN3O2S2 MolecularWeight: 407.525283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3=CC=CC=C3F)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)C3=CC=CC=C3F)C(=O)OC

InChI

InChI=1S/C19H22FN3O2S2/c1-3-13-12-14(18(24)25-2)17(27-13)21-19(26)23-10-8-22(9-11-23)16-7-5-4-6-15(16)20/h4-7,12H,3,8-11H2,1-2H3,(H,21,26)