3,5-dinitro-N-(2-phenylazanyl-1,3-benzothiazol-4-yl)benzamide

Systemtic Name: 3,5-dinitro-N-(2-phenylazanyl-1,3-benzothiazol-4-yl)benzamide Openeye Name: N-(2-anilino-1,3-benzothiazol-4-yl)-3,5-dinitro-benzamide CAS Name: N-(2-anilino-1,3-benzothiazol-4-yl)-3,5-dinitrobenzamide IUPAC Name: N-(2-anilino-1,3-benzothiazol-4-yl)-3,5-dinitrobenzamide Traditional Name: N-(2-anilino-1,3-benzothiazol-4-yl)-3,5-dinitro-benzamide Formula: C20H13N5O5S MolecularWeight: 435.41272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC3=C(C=CC=C3S2)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC3=C(C=CC=C3S2)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O5S/c26-19(12-9-14(24(27)28)11-15(10-12)25(29)30)22-16-7-4-8-17-18(16)23-20(31-17)21-13-5-2-1-3-6-13/h1-11H,(H,21,23)(H,22,26)