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

Systemtic Name: 4-butoxy-N-[[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[(2-methyl-1,3-dioxo-isoindolin-5-yl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[(2-methyl-1,3-dioxo-5-isoindolyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(1,3-diketo-2-methyl-isoindolin-5-yl)thiocarbamoyl]benzamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)C(=O)N(C3=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)C(=O)N(C3=O)C

InChI

InChI=1S/C21H21N3O4S/c1-3-4-11-28-15-8-5-13(6-9-15)18(25)23-21(29)22-14-7-10-16-17(12-14)20(27)24(2)19(16)26/h5-10,12H,3-4,11H2,1-2H3,(H2,22,23,25,29)