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

Systemtic Name: N-[[1,3-bis(oxidanylidene)-2-phenyl-isoindol-4-yl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[(1,3-dioxo-2-phenyl-isoindolin-4-yl)carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[(1,3-dioxo-2-phenyl-4-isoindolyl)amino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[(1,3-dioxo-2-phenylisoindol-4-yl)carbamothioyl]-3-propoxybenzamide Traditional Name: N-[(1,3-diketo-2-phenyl-isoindolin-4-yl)thiocarbamoyl]-3-propoxy-benzamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC3=C2C(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC3=C2C(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O4S/c1-2-14-32-18-11-6-8-16(15-18)22(29)27-25(33)26-20-13-7-12-19-21(20)24(31)28(23(19)30)17-9-4-3-5-10-17/h3-13,15H,2,14H2,1H3,(H2,26,27,29,33)