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

Systemtic Name: 3,4-bis(chloranyl)-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 3,4-dichloro-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 3,4-dichloro-N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dichloro-N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 3,4-dichloro-N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]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)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

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

InChI

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