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

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[2-chloro-4-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[2-chloro-4-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(2-chloro-4-phthalimido-phenyl)thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C23H15ClN4O5S MolecularWeight: 494.907

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C23H15ClN4O5S/c1-12-14(7-4-8-19(12)28(32)33)20(29)26-23(34)25-18-10-9-13(11-17(18)24)27-21(30)15-5-2-3-6-16(15)22(27)31/h2-11H,1H3,(H2,25,26,29,34)