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

Systemtic Name: N-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]carbamothioyl]-3,5-diethoxy-benzamide Openeye Name: N-[(1,3-dioxo-2-phenyl-isoindolin-4-yl)carbamothioyl]-3,5-diethoxy-benzamide CAS Name: N-[[(1,3-dioxo-2-phenyl-4-isoindolyl)amino]-sulfanylidenemethyl]-3,5-diethoxybenzamide IUPAC Name: N-[(1,3-dioxo-2-phenylisoindol-4-yl)carbamothioyl]-3,5-diethoxybenzamide Traditional Name: N-[(1,3-diketo-2-phenyl-isoindolin-4-yl)thiocarbamoyl]-3,5-diethoxy-benzamide Formula: C26H23N3O5S MolecularWeight: 489.54292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=CC3=C2C(=O)N(C3=O)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=CC3=C2C(=O)N(C3=O)C4=CC=CC=C4)OCC

InChI

InChI=1S/C26H23N3O5S/c1-3-33-18-13-16(14-19(15-18)34-4-2)23(30)28-26(35)27-21-12-8-11-20-22(21)25(32)29(24(20)31)17-9-6-5-7-10-17/h5-15H,3-4H2,1-2H3,(H2,27,28,30,35)