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

Systemtic Name: 4-chloranyl-N-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[(6-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(6-chloro-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(=C(C=C1C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)Cl)[N+](=O)[O-])Cl

InChI

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