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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-chloranyl-3-nitro-phenyl)carbamothioyl]ethanamide Openeye Name: N-[(4-chloro-3-nitro-phenyl)carbamothioyl]-2-(1,3-dioxoisoindolin-2-yl)acetamide CAS Name: N-[(4-chloro-3-nitroanilino)-sulfanylidenemethyl]-2-(1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-[(4-chloro-3-nitrophenyl)carbamothioyl]-2-(1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-[(4-chloro-3-nitro-phenyl)thiocarbamoyl]-2-phthalimido-acetamide Formula: C17H11ClN4O5S MolecularWeight: 418.81104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC(=S)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC(=O)NC(=S)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H11ClN4O5S/c18-12-6-5-9(7-13(12)22(26)27)19-17(28)20-14(23)8-21-15(24)10-3-1-2-4-11(10)16(21)25/h1-7H,8H2,(H2,19,20,23,28)