N-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[(6-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(6-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C15H8ClN5O5S2 MolecularWeight: 437.83752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)SC(=N2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Cl)SC(=N2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H8ClN5O5S2/c16-8-1-2-11-12(5-8)28-15(17-11)19-14(27)18-13(22)7-3-9(20(23)24)6-10(4-7)21(25)26/h1-6H,(H2,17,18,19,22,27)