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

Systemtic Name: methyl 2-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]carbothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazine-1-carbothioyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbothioyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[4-(2-chloro-4-fluoro-benzyl)piperazine-1-carbothioyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C20H23ClFN3O2S2 MolecularWeight: 455.996923

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl)C(=O)OC

InChI

InChI=1S/C20H23ClFN3O2S2/c1-3-15-11-16(19(26)27-2)18(29-15)23-20(28)25-8-6-24(7-9-25)12-13-4-5-14(22)10-17(13)21/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,23,28)