ethyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylcarbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 5-phenyl-2-[(2-phthalimidoacetyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C24H19N3O5S2 MolecularWeight: 493.55476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C24H19N3O5S2/c1-2-32-23(31)17-12-18(14-8-4-3-5-9-14)34-20(17)26-24(33)25-19(28)13-27-21(29)15-10-6-7-11-16(15)22(27)30/h3-12H,2,13H2,1H3,(H2,25,26,28,33)