ethyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(1,3-dioxoisoindolin-2-yl)propanoylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(1,3-dioxoisoindol-2-yl)propanoylcarbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 4-phenyl-2-(3-phthalimidopropanoylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C25H21N3O5S2 MolecularWeight: 507.58134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=S)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=S)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H21N3O5S2/c1-2-33-24(32)20-18(15-8-4-3-5-9-15)14-35-21(20)27-25(34)26-19(29)12-13-28-22(30)16-10-6-7-11-17(16)23(28)31/h3-11,14H,2,12-13H2,1H3,(H2,26,27,29,34)