N-benzo[e][1,3]benzothiazol-2-yl-2-iodanyl-5-nitro-benzamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-2-iodanyl-5-nitro-benzamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-2-iodo-5-nitro-benzamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-2-iodo-5-nitrobenzamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-2-iodo-5-nitrobenzamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-2-iodo-5-nitro-benzamide Formula: C18H10IN3O3S MolecularWeight: 475.25977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])I

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])I

InChI

InChI=1S/C18H10IN3O3S/c19-14-7-6-11(22(24)25)9-13(14)17(23)21-18-20-16-12-4-2-1-3-10(12)5-8-15(16)26-18/h1-9H,(H,20,21,23)