ethyl 4-[[(9bR)-5-oxidanylidene-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[(9bR)-5-oxidanylidene-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[(9bR)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carbothioyl]amino]benzoate CAS Name: 4-[[[(9bR)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-1-yl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(9bR)-5-oxo-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindole-1-carbothioyl]amino]benzoate Traditional Name: 4-[[(9bR)-5-keto-9b-phenyl-2,3-dihydroimidaz[2,1-a]isoindole-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN3C2(C4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCN3[C@]2(C4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O3S/c1-2-32-24(31)18-12-14-20(15-13-18)27-25(33)29-17-16-28-23(30)21-10-6-7-11-22(21)26(28,29)19-8-4-3-5-9-19/h3-15H,2,16-17H2,1H3,(H,27,33)/t26-/m1/s1