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

Systemtic Name: methyl 2-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]carbothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazine-1-carbothioyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbothioyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(2-chloro-4-fluoro-benzyl)piperazine-1-carbothioyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H25ClFN3O2S2 MolecularWeight: 470.023503

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl)C

InChI

InChI=1S/C21H25ClFN3O2S2/c1-4-16-13(2)30-19(18(16)20(27)28-3)24-21(29)26-9-7-25(8-10-26)12-14-5-6-15(23)11-17(14)22/h5-6,11H,4,7-10,12H2,1-3H3,(H,24,29)