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

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[2-chloro-4-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[2-chloro-4-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(2-chloro-4-phthalimido-phenyl)thiocarbamoyl]-4-nitro-benzamide Formula: C22H13ClN4O5S MolecularWeight: 480.88042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H13ClN4O5S/c23-17-11-14(26-20(29)15-3-1-2-4-16(15)21(26)30)9-10-18(17)24-22(33)25-19(28)12-5-7-13(8-6-12)27(31)32/h1-11H,(H2,24,25,28,33)