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

Systemtic Name: methyl 2-[[4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H23ClFN3O2S2 MolecularWeight: 504.039723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClFN3O2S2/c1-31-23(30)18-14-21(17-5-3-2-4-6-17)33-22(18)27-24(32)29-11-9-28(10-12-29)15-16-7-8-20(26)19(25)13-16/h2-8,13-14H,9-12,15H2,1H3,(H,27,32)