N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[(4,5-dichloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-nitro-benzamide Formula: C15H8Cl2N4O3S2 MolecularWeight: 427.28502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl

InChI

InChI=1S/C15H8Cl2N4O3S2/c16-9-4-5-10-12(11(9)17)18-15(26-10)20-14(25)19-13(22)7-2-1-3-8(6-7)21(23)24/h1-6H,(H2,18,19,20,22,25)