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

Systemtic Name: ethyl 5-methyl-4-phenyl-2-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[[4-(2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C24H26N4O2S2 MolecularWeight: 466.61884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C24H26N4O2S2/c1-3-30-23(29)21-20(18-9-5-4-6-10-18)17(2)32-22(21)26-24(31)28-15-13-27(14-16-28)19-11-7-8-12-25-19/h4-12H,3,13-16H2,1-2H3,(H,26,31)