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

Systemtic Name: ethyl 2-[[4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[(3-chloro-4-fluoro-phenyl)methyl]piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(3-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(3-chloro-4-fluorophenyl)methyl]piperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(3-chloro-4-fluoro-benzyl)piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H25ClFN3O2S2 MolecularWeight: 518.066303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)CC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C25H25ClFN3O2S2/c1-2-32-24(31)19-15-22(18-6-4-3-5-7-18)34-23(19)28-25(33)30-12-10-29(11-13-30)16-17-8-9-21(27)20(26)14-17/h3-9,14-15H,2,10-13,16H2,1H3,(H,28,33)