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

Systemtic Name: N-[[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[[3-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[3-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[3-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: N-[(3-phthalimidophenyl)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=CC(=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

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