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

Systemtic Name: N-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(1,3-dioxo-2-phenyl-isoindolin-4-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[(1,3-dioxo-2-phenyl-4-isoindolyl)amino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(1,3-dioxo-2-phenylisoindol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(1,3-diketo-2-phenyl-isoindolin-4-yl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C25H21N3O6S MolecularWeight: 491.51574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC3=C2C(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC3=C2C(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O6S/c1-32-18-12-14(13-19(33-2)21(18)34-3)22(29)27-25(35)26-17-11-7-10-16-20(17)24(31)28(23(16)30)15-8-5-4-6-9-15/h4-13H,1-3H3,(H2,26,27,29,35)