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

Systemtic Name: N-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-3-cyano-thiophen-2-yl]carbamothioyl]benzamide Openeye Name: N-[[3-cyano-4-[(1,3-dioxoisoindolin-2-yl)methyl]-2-thienyl]carbamothioyl]benzamide CAS Name: N-[[[3-cyano-4-[(1,3-dioxo-2-isoindolyl)methyl]-2-thiophenyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-cyano-4-[(1,3-dioxoisoindol-2-yl)methyl]thiophen-2-yl]carbamothioyl]benzamide Traditional Name: N-[[3-cyano-4-(phthalimidomethyl)-2-thienyl]thiocarbamoyl]benzamide Formula: C22H14N4O3S2 MolecularWeight: 446.50156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CS2)CN3C(=O)C4=CC=CC=C4C3=O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C(=CS2)CN3C(=O)C4=CC=CC=C4C3=O)C#N

InChI

InChI=1S/C22H14N4O3S2/c23-10-17-14(11-26-20(28)15-8-4-5-9-16(15)21(26)29)12-31-19(17)25-22(30)24-18(27)13-6-2-1-3-7-13/h1-9,12H,11H2,(H2,24,25,27,30)