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

Systemtic Name: N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[(4,5-dichloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C16H10Cl2N4O4S2 MolecularWeight: 457.311

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H10Cl2N4O4S2/c1-26-10-4-2-7(6-9(10)22(24)25)14(23)20-15(27)21-16-19-13-11(28-16)5-3-8(17)12(13)18/h2-6H,1H3,(H2,19,20,21,23,27)