N-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[(1,3-dioxo-2-phenyl-isoindolin-4-yl)carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[(1,3-dioxo-2-phenyl-4-isoindolyl)amino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[(1,3-dioxo-2-phenylisoindol-4-yl)carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[(1,3-diketo-2-phenyl-isoindolin-4-yl)thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C28H27N3O6S MolecularWeight: 533.59548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=CC3=C2C(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=CC3=C2C(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O6S/c1-4-35-21-15-17(16-22(36-5-2)24(21)37-6-3)25(32)30-28(38)29-20-14-10-13-19-23(20)27(34)31(26(19)33)18-11-8-7-9-12-18/h7-16H,4-6H2,1-3H3,(H2,29,30,32,38)