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

Systemtic Name: N-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]carbamothioyl]-3-butoxy-benzamide Openeye Name: 3-butoxy-N-[(1,3-dioxo-2-phenyl-isoindolin-4-yl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[(1,3-dioxo-2-phenyl-4-isoindolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(1,3-dioxo-2-phenylisoindol-4-yl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(1,3-diketo-2-phenyl-isoindolin-4-yl)thiocarbamoyl]benzamide Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC3=C2C(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC3=C2C(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O4S/c1-2-3-15-33-19-12-7-9-17(16-19)23(30)28-26(34)27-21-14-8-13-20-22(21)25(32)29(24(20)31)18-10-5-4-6-11-18/h4-14,16H,2-3,15H2,1H3,(H2,27,28,30,34)