1,3-bis(oxidanylidene)-2-(phenylmethyl)-N-[3-(thiophen-2-ylcarbonylamino)phenyl]isoindole-5-carboxamide

Systemtic Name: 1,3-bis(oxidanylidene)-2-(phenylmethyl)-N-[3-(thiophen-2-ylcarbonylamino)phenyl]isoindole-5-carboxamide Openeye Name: 2-benzyl-1,3-dioxo-N-[3-(thiophene-2-carbonylamino)phenyl]isoindoline-5-carboxamide CAS Name: 1,3-dioxo-N-[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-2-(phenylmethyl)-5-isoindolecarboxamide IUPAC Name: 2-benzyl-1,3-dioxo-N-[3-(thiophene-2-carbonylamino)phenyl]isoindole-5-carboxamide Traditional Name: 2-benzyl-1,3-diketo-N-[3-(2-thenoylamino)phenyl]isoindoline-5-carboxamide Formula: C27H19N3O4S MolecularWeight: 481.52246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=CC=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=CC(=CC=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C27H19N3O4S/c31-24(28-19-8-4-9-20(15-19)29-25(32)23-10-5-13-35-23)18-11-12-21-22(14-18)27(34)30(26(21)33)16-17-6-2-1-3-7-17/h1-15H,16H2,(H,28,31)(H,29,32)