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

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[2-chloro-4-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[2-chloro-4-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(2-chloro-4-phthalimido-phenyl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C24H17ClN4O6S MolecularWeight: 524.93298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H17ClN4O6S/c1-2-35-20-10-7-13(11-19(20)29(33)34)21(30)27-24(36)26-18-9-8-14(12-17(18)25)28-22(31)15-5-3-4-6-16(15)23(28)32/h3-12H,2H2,1H3,(H2,26,27,30,36)