N-[1,3-bis(oxidanylidene)isoindol-5-yl]-2-(2-chloranyl-4-nitro-phenyl)sulfanyl-benzamide

Systemtic Name: N-[1,3-bis(oxidanylidene)isoindol-5-yl]-2-(2-chloranyl-4-nitro-phenyl)sulfanyl-benzamide Openeye Name: 2-(2-chloro-4-nitro-phenyl)sulfanyl-N-(1,3-dioxoisoindolin-5-yl)benzamide CAS Name: 2-[(2-chloro-4-nitrophenyl)thio]-N-(1,3-dioxo-5-isoindolyl)benzamide IUPAC Name: 2-(2-chloro-4-nitrophenyl)sulfanyl-N-(1,3-dioxoisoindol-5-yl)benzamide Traditional Name: 2-[(2-chloro-4-nitro-phenyl)thio]-N-(1,3-diketoisoindolin-5-yl)benzamide Formula: C21H12ClN3O5S MolecularWeight: 453.85508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)C(=O)NC3=O)SC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)C(=O)NC3=O)SC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H12ClN3O5S/c22-16-10-12(25(29)30)6-8-18(16)31-17-4-2-1-3-14(17)20(27)23-11-5-7-13-15(9-11)21(28)24-19(13)26/h1-10H,(H,23,27)(H,24,26,28)