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

Systemtic Name: ethyl 2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[(3-fluorophenyl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(3-fluorophenyl)methyl]piperazine-1-carbothioyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(3-fluorobenzyl)piperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H28FN3O2S2 MolecularWeight: 497.647823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C26H28FN3O2S2/c1-3-32-25(31)23-22(20-9-5-4-6-10-20)18(2)34-24(23)28-26(33)30-14-12-29(13-15-30)17-19-8-7-11-21(27)16-19/h4-11,16H,3,12-15,17H2,1-2H3,(H,28,33)